Details of the Drug

General Information of Drug (ID: DM8J3WE)

Drug Name

Nibentan

Synonyms

HE-11; Rac-N-[5-(Diethylamino)-1-phenylpentyl]-4-nitrobenzamide hydrochloride

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

419.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

10

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C22H30ClN3O3
IUPAC Name: N-[5-(diethylamino)-1-phenylpentyl]-4-nitrobenzamide;hydrochloride
Canonical SMILES: CCN(CC)CCCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl
InChI: InChI=1S/C22H29N3O3.ClH/c1-3-24(4-2)17-9-8-12-21(18-10-6-5-7-11-18)23-22(26)19-13-15-20(16-14-19)25(27)28;/h5-7,10-11,13-16,21H,3-4,8-9,12,17H2,1-2H3,(H,23,26);1H
InChIKey: CHCBAYRWJULIDW-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Blocker	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Electrophysiologic effects of nibentan (HE-11) on canine cardiac tissue. J Pharmacol Exp Ther. 1997 Mar;280(3):1137-46.
2	Nibentan -- a drug for pharmacological cardioversion of persistent atrial fibrillation. Kardiologiia. 2005;45(3):19-23.