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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1134
CHEMBL1134
Compound Name DECAMETHONIUM BROMIDE
ChEMBL Synonyms Decamethonium Iodide | Decamethonium Bromide | Syncurine
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

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

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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL1134

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
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.693
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.550
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.234
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.210

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 0.944
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.595
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.573
CHEMBL4768 Acetylcholinesterase Bos taurus 0.361
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.220

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1134



ACToR 541-22-0
eMolecules 496468
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
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