Details of the Drug

General Information of Drug (ID: DMRKBIU)

Drug Name

BRL-32872A

Synonyms

BRL-32872 (free base); N-(3,4-Dimethoxyphenyl)-N-[3-[N'-methyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-4-nitrobenzamide hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Cardiac arrhythmias	BC9Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

574.1

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

13

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C29H36ClN3O7
IUPAC Name: N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-nitrobenzamide;hydrochloride
Canonical SMILES: CN(CCCN(C1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC(=C(C=C3)OC)OC.Cl
InChI: InChI=1S/C29H35N3O7.ClH/c1-30(18-15-21-7-13-25(36-2)27(19-21)38-4)16-6-17-31(24-12-14-26(37-3)28(20-24)39-5)29(33)22-8-10-23(11-9-22)32(34)35;/h7-14,19-20H,6,15-18H2,1-5H3;1H
InChIKey: CMKVOHIRMCFVBJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[2]
Potassium channel unspecific (KC)	TT1VOHK	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 800000403)
2	Combined potassium and calcium channel blocking activities as a basis for antiarrhythmic efficacy with low proarrhythmic risk: experimental profile... J Pharmacol Exp Ther. 1996 Feb;276(2):637-46.