Details of the Drug

General Information of Drug (ID: DM8X4A1)

Drug Name
Methantheline
Synonyms
Mantheline; Methanide; Methanthelinium; Methanthelinum; Banthine bromide; Gastrin I; Methanthine bromide; Gastrin-1 Human; Diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium; N,N-Diethyl-N-methyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]ethanaminium
Indication
Disease Entry ICD 11 Status REF
Gastric ulcer DA60 Approved [1]
Gastritis DA42 Approved [2]
Irritable bowel syndrome DD91.0 Approved [2]
Pancreatitis DC31-DC34 Approved [2]
Peptic ulcer DA61 Approved [2]
Priapism N.A. Investigative [1]
⏷ Show the Full List of Indication(s)
Therapeutic Class
Anticholinergic Agents
Affected Organisms
Humans and other mammals
ATC Code
A03AB07: Methantheline
A03AB: Synthetic anticholinergics, quaternary ammonium compounds
A03A: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A: ALIMENTARY TRACT AND METABOLISM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 340.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Absorption
The drug is rapidly absorbed []
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C21H26NO3+
IUPAC Name
diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
Canonical SMILES
CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1
InChIKey
GZHFODJQISUKAY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4097
ChEBI ID
CHEMBL6817
CAS Number
5818-17-7
UNII
36EI79TX7I
DrugBank ID
DB00940
TTD ID
D0JY5S
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M5 (CHRM5) TTH18TF ACM5_HUMAN Antagonist [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Methantheline FDA Label
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3 Anticholinergics for urinary symptoms in multiple sclerosis. Cochrane Database Syst Rev. 2009 Jan 21;(1):CD004193.