Details of the Drug

General Information of Drug (ID: DMZF9CY)

Drug Name

GE-68

Synonyms

GE-68; GE 68; 158358-22-6; CHEMBL93812; AC1L322R; SCHEMBL9738669; (+-)-3-(2-Phenylethyl)-alpha-((propylamino)methyl)-2-benzofuranmethanol; 1-(3-phenethyl-1-benzofuran-2-yl)-2-(propylamino)ethanol; 2-(Propylamino)-1-[3-(2-phenylethyl)benzofuran-2-yl]ethanol; 2-Benzofuranmethanol, 3-(2-phenylethyl)-alpha-((propylamino)methyl)-, (+-)-

Indication

Disease Entry	ICD 11	Status	REF
Heart arrhythmia	BC65	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

323.4

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H25NO2
IUPAC Name: 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propylamino)ethanol
Canonical SMILES: CCCNCC(C1=C(C2=CC=CC=C2O1)CCC3=CC=CC=C3)O
InChI: InChI=1S/C21H25NO2/c1-2-14-22-15-19(23)21-18(13-12-16-8-4-3-5-9-16)17-10-6-7-11-20(17)24-21/h3-11,19,22-23H,2,12-15H2,1H3
InChIKey: XPEXCFSBFPOSQR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 133044
CAS Number: 158358-22-6
TTD ID: D0K0KP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001596)
2	Electrophysiological properties of the propafenone-analogue GE 68 (1-[3-(phenylethyl)-2-benzofuryl]-2-(propylamino)-ethanol) in isolated preparations and ventricular myocytes of guinea-pig hearts. Naunyn Schmiedebergs Arch Pharmacol. 1997 Feb;355(2):230-8.