ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1134
CHEMBL1134
Compound Name DECAMETHONIUM BROMIDE
ChEMBL Synonyms DECAMETHONIUM BROMIDE | SYNCURINE | DECAMETHONIUM IODIDE
Max Phase 4 (Approved)
Trade Names SYNCURINE
Molecular Formula C16H38Br2N2

Additional synonyms for CHEMBL1134 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Standard InChI InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16- ...
Download InChI
Standard InChI Key HLXQFVXURMXRPU-UHFFFAOYSA-L

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1134

Molecule Features

CHEMBL1134 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscle-type nicotinic acetylcholine receptor partial agonist Muscle-type nicotinic acetylcholine receptor ISBN PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov DECAMETHONIUM BROMIDE
The Cochrane Collaboration DECAMETHONIUM BROMIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1134. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.808
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.737
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.598
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.436
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.217

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4781 Muscarinic acetylcholine receptor M2 Sus scrofa 0.999
CHEMBL4958 Dynamin-1 Homo sapiens 0.998
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 0.948
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.946
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.641
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.569
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.400
CHEMBL4768 Acetylcholinesterase Bos taurus 0.363
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.223
CHEMBL3691 Autotaxin Homo sapiens 0.216

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
258.5 258.3035 1.13 11 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -3.37 -3.37 0 18 0.39

Structural Alerts

There are 10 structural alerts for CHEMBL1134. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HLXQFVXURMXRPU-UHFFFAOYSA-L
PubChem SID: 144205588 SID: 170465349 SID: 50106154 SID: 855712
Wikipedia Decamethonium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1134



ACToR 541-22-0
eMolecules 496468
EPA CompTox Dashboard DTXSID2022886
FDA SRS 55C6RK944K
Mcule MCULE-6709660253
MolPort MolPort-003-929-681
PubChem 10921
PubChem: Thomson Pharma 16849337
Selleck decamethonium-bromide
SureChEMBL SCHEMBL487473

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HLXQFVXURMXRPU-UHFFFAOYSA-L spacer
spacer