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]
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
PubChem CID
177905
CAS Number
157832-56-9
TTD ID
D09BZY

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]
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.