Details of the Drug

General Information of Drug (ID: DMMVL5P)

Drug Name
3,6,9,12,15-PENTAOXATRICOSAN-1-OL
Synonyms
3,6,9,12,15-Pentaoxatricosan-1-ol; n-Octylpentaoxyethylene; 19327-40-3; PENTAETHYLENE GLYCOL MONOOCTYL ETHER; Pentaoxyethylene monooctyl ether; polyoxyethylene 5 octyl ether; C;Pentaethyleneglycolmonooctylether; 2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol; Octylpentaglycol; N8E; C18H38O6; AC1L4MMQ; SCHEMBL61744; C8E5; Octyl pentaethylene glycol ether; DTXSID6075192; CTK0H9802; Pentaethylene glycol, octyl ether; MJELOWOAIAAUJT-UHFFFAOYSA-N; AC1Q5919; ZINC16051619; 7571AH; MFCD00043032; AKOS027320404; DB08249; LS-102023
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): 1 Molecular Weight (mw) 350.5
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 21
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H38O6
IUPAC Name
2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Canonical SMILES
CCCCCCCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3
InChIKey
MJELOWOAIAAUJT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
159866
CAS Number
19327-40-3
DrugBank ID
DB08249
TTD ID
D08LMT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase) TT3PQ2Y PYRD_PLAF7 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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