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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 178.23
Topological Polar Surface Area (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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
3 National Cancer Institute Drug Dictionary (drug id 596693).
4 Biological evaluation of a multi-targeted small molecule inhibitor of tumor-induced angiogenesis. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1950-3.
5 Discovery of novel 2-(aminoheteroaryl)-thiazole-5-carboxamides as potent and orally active Src-family kinase p56(Lck) inhibitors. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6061-6.
6 Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-linea... J Med Chem. 2008 Sep 25;51(18):5680-9.
7 (6,7-Dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamines: platelet-derived growth factor receptor tyrosine kinase inhibitors with broad ant... J Med Chem. 2005 Dec 29;48(26):8163-73.