Details of the Drug

General Information of Drug (ID: DMQA4JU)

Drug Name

Berlafenone

Synonyms

Bipranol; GK-23G

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)

299.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H25NO2
IUPAC Name: 1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol
Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC=C1C2=CC=CC=C2)O
InChI: InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3
InChIKey: DBHPVKNFKBKJCE-UHFFFAOYSA-N

Cross-matching ID

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)

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 800000213)
2	WO patent application no. 19990639849, Novel sodium channel drugs and uses.