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]
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
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.