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

General Information of Drug (ID: DM78UPQ)

• Drug Name: 1,3-Bis-(3-imidazolidin-2-yl-phenyl)-urea Drug Info
• Synonyms: Imidocarb; 27885-92-3; Imidocarbum; Imidocarbe; Imidocarbo; 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea; Imidocarb [INN:BAN]; UNII-8USS3K0VDH; Imidocarbum [INN-Latin]; Imidocarbe [INN-French]; Imidocarbo [INN-Spanish]; 1,3-Bis(3-(2-imidazolin-2-yl)phenyl)urea; 1,3-Bis(3-(2-imidazolin-2-yl)phenyl)harnstoff; C19H20N6O; TCMDC-124304; N,N'-Bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea; EINECS 248-711-7; 8USS3K0VDH; CARBANILIDE, 3,3'-DI-2-IMIDAZOLIN-2-YL-; BRN 0964732; CHEMBL427342; NSC 51189; Urea, N,N'-bis[3-(4,5-dihydro-

Indication

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

• Cross-matching ID:
  PubChem CID: 21389
  ChEBI ID: CHEBI:51804
  CAS Number: CAS 27885-92-3
  TTD Drug ID: DM78UPQ
  VARIDT Drug ID: DR00786

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]

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]

References

• [1] Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors. J Med Chem. 2004 Sep 23;47(20):4818-28.
• [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.