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]
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
ChEBI ID
CHEMBL184461
CAS Number
179258-59-4
TTD ID
D06VXY
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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]
Molecular Interaction Atlas (MIA) 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.