Details of the Drug

General Information of Drug (ID: DMXVU6D)

• Drug Name: Diphemanil Methylsulfate
• Synonyms: Demotil; Diphemanil; Diphemanilum; Diphenatil; Diphenmethanil; Nivelon; Nivelona; Prantal; Prantil; Prentol; Talpran; Vagophemanil; Variton; Diphemanil methosulfate; Diphemanil methyl sulfate; Diphemanil methylsulphate; Diphemanil metilsulfate; Diphemanili metilsulfas; Diphenmanil methyl sulfate; Diphenmanil methylsulfate; Diphenmethanil methyl sulfate; Diphenmethanil methylsulfate; Metilsulfate de diphemanil; Metilsulfato de difemanilo; Prantal methylsulfate; Vagophemanil methyl sulfate; Ban-guard; Diphemanil methylsulfate [INN:BAN]; Diphemanil metilsulfate (INN); Diphemanili metilsulfas [INN-Latin]; Metilsulfate de diphemanil [INN-French]; Metilsulfato de difemanilo [INN-Spanish]; Prantal (TN); Ban-Guard (Veterinary); P-(alpha-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate; N,N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate; P-(alpha.-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate; Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate; 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate; 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methylsulfate; 4-(diphenylmethylidene)-1,1-dimethylpiperidinium methyl sulfate; 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium

Indication

Disease Entry	ICD 11	Status	REF
Peptic ulcer	DA61	Approved	[1]

• Therapeutic Class: Parasympatholytics
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 389.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 4
• ADMET Property: Bioavailability: The bioavailability of drug is 15-25% []
• Chemical Identifiers:
  Formula: C21H27NO4S
  IUPAC Name: 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate
  Canonical SMILES: C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]
  InChI: InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
  InChIKey: BREMLQBSKCSNNH-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 6126
  ChEBI ID: CHEBI:59782
  CAS Number: 62-97-5
  TTD ID: D0OK5Q

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Peptic ulcer
• ICD Disease Classification: DA61

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41

References

• [1] Drug information of Diphemanil Methylsulfate, 2008. eduDrugs.
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.