Details of the Drug

General Information of Drug (ID: DMY26JI)

Drug Name
3,6,9,12,15,18-HEXAOXAICOSANE
Synonyms
3,6,9,12,15,18-Hexaoxaicosane; 3,6,9,12,15,18-Hexaoxaeicosane; 23601-39-0; 1-ethoxy-2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethane; EINECS 245-774-2; AC1L3JHX; SCHEMBL987828; DTXSID1041473; CHEBI:39576; CTK1A3907; DB06867
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) 294.38
Logarithm of the Partition Coefficient (xlogp) -0.1
Rotatable Bond Count (rotbonds) 17
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H30O6
IUPAC Name
1-ethoxy-2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
Canonical SMILES
CCOCCOCCOCCOCCOCCOCC
InChI
InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3
InChIKey
IXFAFGFZFQHRLB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
90206
ChEBI ID
CHEBI:39576
CAS Number
23601-39-0
UNII
72DU7F2YXZ
DrugBank ID
DB06867
TTD ID
D0E2AC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Rotamase Pin1 (PIN1) TTJNTSI PIN1_HUMAN 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.