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

General Information of Drug (ID: DMY8IOP)

• Drug Name: 3,6,9,12,15-Pentaoxaheptadecane Drug Info
• Synonyms: 3,6,9,12,15-Pentaoxaheptadecane; Diethoxytetraethylene glycol; Tetraethylene glycol diethyl ether; 4353-28-0; Glycol, diethoxytetraethylene; Ether, bis(2-(2-ethoxyethoxy)ethyl); Diethylether tetraethylenglykolu; EINECS 224-423-7; Diethylether tetraethylenglykolu [Czech]; BRN 1767873; bis(2-(2-ethoxyethoxy)ethyl) ether; P3G; 1-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethane; AC1Q58NT; AC1L2UE6; SCHEMBL216926; tetraethyleneglycol diethyl ether; DTXSID0052099; CTK3I9254; CHEBI:44751; HYDWALOBQJFOMS-UHFFFAOYSA-N; ZINC5650744

Indication

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

• Cross-matching ID:
  PubChem CID: 78057
  ChEBI ID: CHEBI:44751
  CAS Number: CAS 4353-28-0
  TTD Drug ID: DMY8IOP

Molecule-Related Drug Atlas

Drug(s) Targeting Acetylcholinesterase (AChE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[2]
Donepezil	DMIYG7Z	Advanced cancer	2A00-2F9Z	Approved	[3]
Malathion	DMXZ84M	Pediculus capitis infestation	1G00.0	Approved	[4]
Galantamine	DMEO794	Alzheimer disease	8A20	Approved	[5]
Huperzine A	DMMAWLU	Alzheimer disease	8A20	Approved	[6]
Neostigmine	DM6T2J3	Myasthenia gravis	8C6Y	Approved	[7]
YM443	DMNZCI1	Functional dyspepsia	DD90.3	Approved	[8]
Ambenonium	DMOP0BL	Myasthenia gravis	8C6Y	Approved	[9]
Demecarium bromide	DMAYEU1	Open-angle glaucoma	9C61	Approved	[10]
Isoflurophate	DMBSK7X	Glaucoma/ocular hypertension	9C61	Approved	[11]

Drug(s) Targeting Kynureninase (KYNU)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
2-Amino-4-[3-hydroxyphenyl]-4-hydroxybutanoic acid	DM1R3VC	Breast cancer	2C60-2C65	Preclinical	[12]
S-(2-Aminophenyl)-L-cysteine S,S-dioxide	DM9Y05C	Bacterial infection	1A00-1C4Z	Preclinical	[13]
3-methoxydesaminokynurenine	DMHVIK3	Discovery agent	N.A.	Investigative	[14]
3-Hydroxyhippuric acid	DM2LBFW	Discovery agent	N.A.	Investigative	[1]
3-hydroxydesaminokynurenine	DM5T6AM	Discovery agent	N.A.	Investigative	[14]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[1]
Kynureninase (KYNU)	TTWQM3J	KYNU_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [2] Evidence that the clinical effects of cholinesterase inhibitors are related to potency and targeting of action. Int J Clin Pract Suppl. 2002 Jun;(127):6-19.
• [3] 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: 2465).
• [4] Acetylcholinesterase activity in Corbicula fluminea Mull., as a biomarker of organophosphate pesticide pollution in Pinacanauan River, Philippines. Environ Monit Assess. 2010 Jun;165(1-4):331-40.
• [5] [From symptomatic to disease modifying therapy Recent developments in the pharmacotherapy of Alzheimer's disease]. Fortschr Neurol Psychiatr. 2009 Jun;77(6):326-33.
• [6] Huperzine A attenuates cognitive deficits and brain injury in neonatal rats after hypoxia-ischemia. Brain Res. 2002 Sep 13;949(1-2):162-70.
• [7] Screening of acetylcholinesterase inhibitors by CE after enzymatic reaction at capillary inlet. J Sep Sci. 2009 May;32(10):1748-56.
• [8] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [9] Alpha6-containing nicotinic acetylcholine receptors dominate the nicotine control of dopamine neurotransmission in nucleus accumbens. Neuropsychopharmacology. 2008 Aug;33(9):2158-66.
• [10] The effects of topical ocular application of 0.25% demecarium bromide on serum acetylcholinesterase levels in normal dogs. Vet Ophthalmol. 2003 Mar;6(1):23-5.
• [11] Rational design of alkylene-linked bis-pyridiniumaldoximes as improved acetylcholinesterase reactivators. Chem Biol. 2003 Jun;10(6):491-502.
• [12] 2-Amino-4-[3'-hydroxyphenyl]-4-hydroxybutanoic acid; a potent inhibitor of rat and recombinant human kynureninase. Bioorg Med Chem Lett. 2002 Feb 11;12(3):361-3.
• [13] Structure, mechanism, and substrate specificity of kynureninase. Biochim Biophys Acta. 2011 Nov;1814(11):1481-8.
• [14] Comparative inhibition by substrate analogues 3-methoxy- and 3-hydroxydesaminokynurenine and an improved 3 step purification of recombinant human kynureninase. BMC Biochem. 2003 Sep 24;4:13.