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

Stem definitionDrug idCAS RN
quaternary ammonium compounds 789 156-74-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • decamethonium
  • decamethonium bromide
  • syncurine
  • Molecular weight: 258.49
  • Formula: C16H38N2
  • CLOGP: -6.97
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 0
  • TPSA:
  • ALOGS: -7.67
  • ROTB: 11

  • Status: OFM

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

Drug dosage:

None

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
May 21, 1975 FDA

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D009465 Neuromuscular Agents
MeSH PA D009466 Neuromuscular Blocking Agents
MeSH PA D009467 Neuromuscular Depolarizing Agents
MeSH PA D018373 Peripheral Nervous System Agents
CHEBI has role CHEBI:47958 muscarinic agonists
CHEBI has role CHEBI:51371 muscle relaxants

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

None

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
Muscle-type nicotinic acetylcholine receptor Ion channel PARTIAL AGONIST CHEMBL CHEMBL
Muscarinic acetylcholine receptor M2 GPCR Ki 7.60 PDSP
Acetylcholinesterase Enzyme IC50 5.23 CHEMBL
Histamine H3 receptor GPCR IC50 6.09 CHEMBL
Acetylcholinesterase Enzyme Ki 5.46 CHEMBL
Neuronal acetylcholine receptor; alpha4/beta2 Ion channel Ki 5.24 CHEMBL

External reference:

IDSource
541-22-0 SECONDARY_CAS_RN
C0057231 UMLSCUI
CHEBI:41934 CHEBI
DME PDB_CHEM_ID
CHEMBL1190 ChEMBL_ID
CHEMBL1134 ChEMBL_ID
DB01245 DRUGBANK_ID
C033019 MESH_SUPPLEMENTAL_RECORD_UI
2968 PUBCHEM_CID
1397 INN_ID
C1CG1S3T2W UNII
002403 NDDF
004957 NDDF
39514001 SNOMEDCT_US

Pharmaceutical products:

None