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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1213353
CHEMBL1213353
Compound Name PRIFINIUM BROMIDE
ChEMBL Synonyms PRIFINIUM BROMIDE | PDB | PYRODIFENIUM BROMIDE
Max Phase 0
Trade Names
Molecular Formula C22H28BrN

Additional synonyms for CHEMBL1213353 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].CC[N+]1(CC)CCC(=C(c2ccccc2)c3ccccc3)C1C
Standard InChI InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8 ...
Download InChI
Standard InChI Key UCGJZJXOPSNTGZ-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1213353

Molecule Features

CHEMBL1213353 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unknown

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 CHEMBL1213353. 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
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.933
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.425
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.202

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.832
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.283
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.205

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
306.5 306.2216 5.14 4 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 1 1 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .72 .72 2 23 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL1213353. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A03 - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03AB - Synthetic anticholinergics, quaternary ammonium compounds
A03AB18 - prifinium bromide

ChemSpider ChemSpider:UCGJZJXOPSNTGZ-UHFFFAOYSA-M
PubChem SID: 144206846
Wikipedia Prifinium_bromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1213353



ACToR 4630-95-9
ChEBI 32052
EPA CompTox Dashboard DTXSID3023508
KEGG Ligand C12814
MolPort MolPort-006-116-348
PubChem 20749
PubChem: Thomson Pharma 14756214
SureChEMBL SCHEMBL24783

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