Details of the Drug

General Information of Drug (ID: DMY6FUD)

Drug Name

(Hydroxyethyloxy)Tri(Ethyloxy)Octane

Synonyms

19327-39-0; 3,6,9,12-tetraoxaicosan-1-ol; 3,6,9,12-Tetraoxaeicosan-1-ol; TETRAETHYLENE GLYCOL MONOOCTYL ETHER; (Hydroxyethyloxy)tri(Ethyloxy)octane; Tetraethylene glycol monoctyl ether; C8E4; FEOZZFHAVXYAMB-UHFFFAOYSA-N; C8E; Octyltetraglycol; Octyltetraethyleneoxide; AC1L1KAZ; AC1Q58VY; SCHEMBL185557; Octyl tetraethylene glycol ether; DTXSID3066479; CHEBI:41323; CTK0H5811; Tetraethylene glycol, octyl ether; tetraethyleneglycol monooctyl ether; MolPort-003-939-472; MFCD00043033; ZINC14881140; AKOS027320403; DB04233; KS-00000Y06

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)

306.44

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C16H34O5
IUPAC Name: 2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethanol
Canonical SMILES: CCCCCCCCOCCOCCOCCOCCO
InChI: InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKey: FEOZZFHAVXYAMB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5414
ChEBI ID: CHEBI:41323
CAS Number: 19327-39-0
DrugBank ID: DB04233
TTD ID: D06PVF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pancreatic triacylglycerol lipase (PNLIP)	TTXMY0J	LIPP_HUMAN	Inhibitor	[1]
Rhodopsin (RHO)	TTH0KSX	OPSD_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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