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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.