Details of the Drug

General Information of Drug (ID: DMD7WNV)

• Drug Name: 1-Methoxy-2-[2-(2-Methoxy-Ethoxy]-Ethane
• Synonyms: Triglyme; 2,5,8,11-TETRAOXADODECANE; 112-49-2; Triethylene glycol dimethyl ether; 1,2-Bis(2-methoxyethoxy)ethane; Glyme 4; Ansul ether 161; Glyme-3; TEGDME; TEGDIME; 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE; UNII-32YXG88KK0; Ethane, 1,2-bis(2-methoxyethoxy)-; NSC 66400; 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane; Dimethyl ether of triethylene glycol; EINECS 203-977-3; Glycol, triethylene-, dimethyl ether; BRN 1700630; AI3-28582; triethyleneglycol dimethyl ether; 32YXG88KK0; CHEBI:44842; YFNKIDBQEZZDLK-UHFFFAOYSA-N; Triethylene

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); 178.23
  Logarithm of the Partition Coefficient (xlogp); -0.5
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C8H18O4
  IUPAC Name: 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
  Canonical SMILES: COCCOCCOCCOC
  InChI: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
  InChIKey: YFNKIDBQEZZDLK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 8189
  ChEBI ID: CHEBI:44842
  CAS Number: 112-49-2
  DrugBank ID: DB02078
  TTD ID: D0OD8N

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fyn tyrosine protein kinase (FYN)	TT2B9KF	FYN_HUMAN	Inhibitor	[1]
Transketolase (TK)	TT04R7I	TKT_HUMAN	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
Fyn tyrosine protein kinase (FYN)	DTT	FYN	2.29E-01	-0.1	-0.51

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.