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]
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
PubChem CID
656770
ChEBI ID
CHEMBL34551
CAS Number
113241-47-7
TTD ID
D08WSW
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
Calcium channel unspecific (CaC) TT5HONZ NOUNIPROTAC Modulator [2]
Potassium channel unspecific (KC) TT1VOHK 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 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.