Details of the Drug

General Information of Drug (ID: DMOP0BL)

Drug Name
Ambenonium
Synonyms
Ambenonum; Ambenonium Base; Ambenonium kation; Mytelase (TN); (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium; 2,2'-[(1,2-dioxoethane-1,2-diyl)diimino]bis[n-(2-chlorobenzyl)-n,n-diethylethanaminium]
Indication
Disease Entry ICD 11 Status REF
Myasthenia gravis 8C6Y Approved [1]
Therapeutic Class
Antiarrhythmic Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 537.6
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Metabolism
The drug is metabolized via plasma and hepatic []
Chemical Identifiers
Formula
C28H42Cl2N4O2+2
IUPAC Name
(2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium
Canonical SMILES
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl
InChI
InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2
InChIKey
OMHBPUNFVFNHJK-UHFFFAOYSA-P
Cross-matching ID
PubChem CID
2131
ChEBI ID
CHEBI:2627
CAS Number
7648-98-8
DrugBank ID
DB01122
TTD ID
D06IAQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Myasthenia gravis
ICD Disease Classification 8C6Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Ambenonium (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Mepenzolate DM8YU2F Moderate Antagonize the effect of Ambenonium when combined with Mepenzolate. Digestive system disease [DE2Z] [3]
Solifenacin DMG592Q Moderate Antagonize the effect of Ambenonium when combined with Solifenacin. Functional bladder disorder [GC50] [3]
Belladonna DM2RBWK Moderate Antagonize the effect of Ambenonium when combined with Belladonna. Infectious gastroenteritis/colitis [1A40] [3]
Siponimod DM2R86O Major Increased risk of atrioventricular block by the combination of Ambenonium and Siponimod. Multiple sclerosis [8A40] [4]
Fingolimod DM5JVAN Moderate Increased risk of atrioventricular block by the combination of Ambenonium and Fingolimod. Multiple sclerosis [8A40] [5]
Flavoxate DMKV4NL Moderate Antagonize the effect of Ambenonium when combined with Flavoxate. Pain [MG30-MG3Z] [3]
Methylscopolamine DM5VWOB Moderate Antagonize the effect of Ambenonium when combined with Methylscopolamine. Peptic ulcer [DA61] [3]
⏷ Show the Full List of 7 DDI Information of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 010155.
2 Alpha6-containing nicotinic acetylcholine receptors dominate the nicotine control of dopamine neurotransmission in nucleus accumbens. Neuropsychopharmacology. 2008 Aug;33(9):2158-66.
3 Product Information. Mestinon (pyridostigmine). ICN Pharmaceuticals Inc, Cost Mesa, CA.
4 Cerner Multum, Inc. "Australian Product Information.".
5 Product Information. Gilenya (fingolimod). Novartis Pharmaceuticals, East Hanover, NJ.