Details of the Drug

General Information of Drug (ID: DMTMS3L)

Drug Name

Barucainide

Synonyms

Barucainide; UNII-14NFL30YOH; 79784-22-8; 14NFL30YOH; Barucainidum; Barucainide [INN]; Barucainid; AC1Q1QCZ; AC1L3TX5; SCHEMBL2110723; CHEMBL2105905; DTXSID60229912; ZINC3643459; 4-Benzyl-1,3-dihydro-7-(4-(isopropylamino)butoxy)-6-methylfuro(3,4-c)pyridine; 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylbutan-1-amine

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)

354.5

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H30N2O2
IUPAC Name: 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylbutan-1-amine
Canonical SMILES: CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCCNC(C)C
InChI: InChI=1S/C22H30N2O2/c1-16(2)23-11-7-8-12-26-22-17(3)24-21(19-14-25-15-20(19)22)13-18-9-5-4-6-10-18/h4-6,9-10,16,23H,7-8,11-15H2,1-3H3
InChIKey: KXSKBNFNSAMNEZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 146795
CAS Number: 79784-22-8
TTD ID: D06HYG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
E3 ubiquitin-protein ligase COP1 (RFWD2)	TT05DLS	COP1_HUMAN	Modulator	[2]
Voltage-gated sodium channel (Nav)	TTIG65Q	NOUNIPROTAC	Modulator	[2]

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 800000197)
2	Barucainide, a novel class Ib antiarrhythmic agent with a slow kinetic property: electrophysiologic observations in isolated canine and rabbit cardiac muscle. Am Heart J. 1990 May;119(5):1050-60.