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

General Information of Drug (ID: DMH2CKX)

• Drug Name: METHOCTRAMINE Drug Info
• Synonyms: Methoctramine; CHEBI:73339; UNII-NVJ76B897D; CHEMBL27673; NVJ76B897D; n,n'-bis{6-[(2-methoxybenzyl)amino]hexyl}octane-1,8-diamine; N1,N8-bis(6-(2-methoxybenzylamino)hexyl)octane-1,8-diamine; N,N'-bis[6-[(2-Methoxyphenyl)methylamino]hexyl]octane-1,8-diamine; N,N'-Bis(6-((2-methoxyphenyl)methylamino)hexyl)octane-1,8-diamine; N,N'-Bis[6-[[(2-methoxyphenyl)methyl]amino]hexyl]-1,8-octanediamine; N,N'-Bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-1,8-octanediamine; Methoctramine free base; NCGC00015626-01; Lopac-M-105

Indication

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

• Cross-matching ID:
  PubChem CID: 107759
  ChEBI ID: CHEBI:73452
  CAS Number: CAS 104807-46-7
  TTD Drug ID: DMH2CKX

Molecule-Related Drug Atlas

Drug(s) Targeting Adenosine A3 receptor (ADORA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
IB-MECA	DM9G5XD	Psoriasis vulgaris	EA90	Phase 3	[4]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[5]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[6]
CF102	DMP56WJ	Hepatocellular carcinoma	2C12.02	Phase 2	[7]
SCH-442416	DMQ2K1V	N. A.	N. A.	Phase 1	[8]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[2]
BAY 60-6583	DMTEJV1	Myocardial ischemia	BA6Z	Preclinical	[9]
CF602	DM0ULO2	Inflammation	1A00-CA43.1	Preclinical	[7]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[7]
Methylthioadenosine	DMC8J6F	Multiple sclerosis	8A40	Terminated	[10]

Drug(s) Targeting Muscarinic acetylcholine receptor M2 (CHRM2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ACECLIDINE	DMOLNCZ	Glaucoma/ocular hypertension	9C61	Approved	[11]
Methacholine Chloride	DMGS4QH	Asthma	CA23	Approved	[12]
SMT-D002	DM1I93C	Seborrhea	ED91.2	Approved	[13]
Methylscopolamine	DM5VWOB	Peptic ulcer	DA61	Approved	[14]
Gallamine Triethiodide	DMPO0MS	Stabilize muscle contraction	FB3Z	Approved	[15]
FP-1097	DMC1F2T	Urinary incontinence	MF50.2	Phase 2	[16]
PSD-506	DMT0KB1	Overactive bladder	GC50.0	Discontinued in Phase 2	[17]
Otenzepad	DMRXHAC	Heart failure	BD10-BD13	Discontinued in Phase 2	[18]
SCH-211803	DM92E0W	Parkinson disease	8A00.0	Discontinued in Phase 1	[19]
Alvameline	DMLN0Y5	Alzheimer disease	8A20	Terminated	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[2]
Muscarinic acetylcholine receptor M2 (CHRM2)	TTYEG6Q	ACM2_HUMAN	Inhibitor	[3]

References

• [1] 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. (Ligand id: 327).
• [2] 2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacolog... J Med Chem. 2005 Nov 3;48(22):6887-96.
• [3] cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain... J Med Chem. 2008 Nov 27;51(22):7094-8.
• [4] A role for central A3-adenosine receptors. Mediation of behavioral depressant effects. FEBS Lett. 1993 Dec 20;336(1):57-60.
• [5] 2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists. Bioorg Med Chem. 2010 Mar 15;18(6):2195-2203.
• [6] Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
• [7] 2011 Pipeline of Can-Fite BioPharm.
• [8] Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5690-4.
• [9] Protein kinase C protects preconditioned rabbit hearts by increasing sensitivity of adenosine A2b-dependent signaling during early reperfusion. J Mol Cell Cardiol. 2007 Sep;43(3):262-71.
• [10] Novel amino acid derived natural products from the ascidian Atriolum robustum: identification and pharmacological characterization of a unique aden... J Med Chem. 2004 Apr 22;47(9):2243-55.
• [11] Design, synthesis, and neurochemical evaluation of 5-(3-alkyl-1,2,4- oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidines as M1 muscarinic receptor agonists. J Med Chem. 1993 Apr 2;36(7):842-7.
• [12] 6beta-Acetoxynortropane: a potent muscarinic agonist with apparent selectivity toward M2-receptors. J Med Chem. 1998 Jun 4;41(12):2047-55.
• [13] Demonstration of bladder selective muscarinic receptor binding by intravesical oxybutynin to treat overactive bladder. J Urol. 2004 Nov;172(5 Pt 1):2059-64.
• [14] Methylacridinium and its cholinergic properties. Neurotox Res. 2009 Nov;16(4):372-7.
• [15] Cholinergic regulation of the corpora allata in adult male loreyi leafworm Mythimna loreyi. Arch Insect Biochem Physiol. 2002 Apr;49(4):215-24.
• [16] Clinical pipeline report, company report or official report of FemmePharma.
• [17] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [18] Beneficial effect of muscarinic-2 antagonist on dilated cardiomyopathy induced by autoimmune mechanism against muscarinic-2 receptor. J Cardiovasc Pharmacol. 2001 Oct;38 Suppl 1:S43-9.
• [19] Improving the oral efficacy of CNS drug candidates: discovery of highly orally efficacious piperidinyl piperidine M2 muscarinic receptor antagonists. J Med Chem. 2002 Dec 5;45(25):5415-8.
• [20] In vivo muscarinic cholinergic mediated effects of Lu 25-109, a M1 agonist and M2/M3 antagonist in vitro. Psychopharmacology (Berl). 1998 Jun;137(3):233-40.