hexocyclium Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
1371 6004-98-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • hexocyclium methyl sulfate
  • hexocyclium
  • hexocyclium metilsulfate
  • hexocyclium methylsulfate
  • Molecular weight: 317.50
  • Formula: C20H33N2O
  • CLOGP: 1.41
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 23.47
  • ALOGS: -5.79
  • ROTB: 4

  • Status: OFM

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
0.15 g O

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
None FDA ABBVIE

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC A03AB10 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthetic anticholinergics, quaternary ammonium compounds

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 5.27 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Muscarinic acetylcholine receptor M3 GPCR ANTAGONIST Ki 8.90 IUPHAR CHEMBL
Muscarinic acetylcholine receptor M1 GPCR ANTAGONIST UNKNOWN CHEMBL
Muscarinic acetylcholine receptor M5 GPCR ANTAGONIST Ki 8.40 IUPHAR
Muscarinic acetylcholine receptor M4 GPCR ANTAGONIST Ki 8.30 IUPHAR
Muscarinic acetylcholine receptor M2 GPCR ANTAGONIST Ki 7.60 IUPHAR
Muscarinic acetylcholine receptor M1 GPCR ANTAGONIST Ki 8.60 IUPHAR

External reference:

IDSource
C0062674 UMLSCUI
D01003 KEGG_DRUG
49688004 SNOMEDCT_US
26867 RXNORM
373763000 SNOMEDCT_US
004695 NDDF
84OPZ2Q0VB UNII
672 INN_ID
115-63-9 SECONDARY_CAS_RN
C015922 MESH_SUPPLEMENTAL_RECORD_UI
DB06787 DRUGBANK_ID
CHEBI:5707 CHEBI
24199 PUBCHEM_CID
CHEMBL1201325 ChEMBL_ID
CHEMBL1626570 ChEMBL_ID
323 IUPHAR_LIGAND_ID

Pharmaceutical products:

None