ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200883
CHEMBL1200883
Compound Name THONZONIUM BROMIDE
ChEMBL Synonyms THONZIDE | TONZONIUM BROMIDE | THONZONIUM BROMIDE | NC-1264 | NC 1264
Max Phase 4 (Approved)
Trade Names THONZIDE
Molecular Formula C32H55BrN4O

Additional synonyms for CHEMBL1200883 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2
Standard InChI InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17- ...
Download InChI
Standard InChI Key WBWDWFZTSDZAIG-UHFFFAOYSA-M

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200883

Molecule Features

CHEMBL1200883 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov THONZONIUM BROMIDE
The Cochrane Collaboration THONZONIUM BROMIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
511.8 511.4376 7.89 22 38.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 2 5 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.64 3.3 3.3 2 37 0.12

Structural Alerts

There are 10 structural alerts for CHEMBL1200883. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WBWDWFZTSDZAIG-UHFFFAOYSA-M
DailyMed thonzonium bromide
PubChem SID: 144204014 SID: 170465335 SID: 56463066
Wikipedia Thonzonium_bromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200883



ACToR 553-08-2
eMolecules 6719999
EPA CompTox Dashboard DTXSID1045326
FDA SRS JI2B19CR0R
MolPort MolPort-006-111-785
PubChem 11102
PubChem: Thomson Pharma 14813580
SureChEMBL SCHEMBL60801

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