Details of the Drug

General Information of Drug (ID: DMBCANZ)

Drug Name

SB-237376

Synonyms

SB-237376; UNII-JED8M29NSU; JED8M29NSU; CHEMBL184461; SB-237376 free base; SCHEMBL6737235; XEAKAKKNLOUHDV-UHFFFAOYSA-N; BDBM50151854; n-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-4-nitrobenzamide; N-{3-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-propyl}-4-nitro-benzamide; Benzamide, N-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-4-nitro-

Indication

Disease Entry	ICD 11	Status	REF
Arrhythmia	BC9Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

387.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C20H25N3O5
IUPAC Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitrobenzamide
Canonical SMILES: COC1=C(C=C(C=C1)CCNCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC
InChI: InChI=1S/C20H25N3O5/c1-27-18-9-4-15(14-19(18)28-2)10-13-21-11-3-12-22-20(24)16-5-7-17(8-6-16)23(25)26/h4-9,14,21H,3,10-13H2,1-2H3,(H,22,24)
InChIKey: XEAKAKKNLOUHDV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9845214
CAS Number: 179258-59-4
TTD ID: D06VXY

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	[1]
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Electrophysiologic effects of SB-237376: a new antiarrhythmic compound with dual potassium and calcium channel blocking action. J Cardiovasc Pharmacol. 2003 Mar;41(3):414-21.