Details of the Drug

General Information of Drug (ID: DMJBFN0)

• Drug Name: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE
• Synonyms: 2-Ethoxyethyl ether; DIETHYLENE GLYCOL DIETHYL ETHER; 112-36-7; Diethyl carbitol; 1-Ethoxy-2-(2-ethoxyethoxy)ethane; Ethyl diglyme; Bis(2-ethoxyethyl) ether; Diethyldiethylene glycol; 3,6,9-Trioxaundecane; DEGDEE; Ether, bis(2-ethoxyethyl); Ethane, 1,1'-oxybis[2-ethoxy-; 2-(2-Ethoxyethoxy)-1-ethoxyethane; Diethylether diethylenglykolu; HSDB 68; UNII-ZH086O935Z; Ethanol, 2,2'-oxybis-, diethyl ether; Ethane, 1,1'-oxybis(2-ethoxy-; Glycol, diethylene-, diethyl ether; EINECS 203-963-7; Diethylether diethylenglykolu [Czech]

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 162.23
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C8H18O3
  IUPAC Name: 1-ethoxy-2-(2-ethoxyethoxy)ethane
  Canonical SMILES: CCOCCOCCOCC
  InChI: InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
  InChIKey: RRQYJINTUHWNHW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 8179
  ChEBI ID: CHEBI:44664
  CAS Number: 112-36-7
  DrugBank ID: DB08357
  TTD ID: D0L3IS

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]
Bacterial Phosphoenolpyruvate transferase (Bact ptsI)	TTFGVKC	PT1_ECOLI	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.