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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL354349
CHEMBL354349
Compound Name ACRIFLAVINE CHLORIDE
ChEMBL Synonyms ACRIFLAVINE | Acriflavinium Chloride
Max Phase 4 (Approved)
Trade Names
Molecular Formula C14H14ClN3

Additional synonyms for CHEMBL354349 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13
Standard InChI InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12( ...
Download InChI
Standard InChI Key KKAJSJJFBSOMGS-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL354349

Molecule Features

CHEMBL354349 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov ACRIFLAVINE CHLORIDE
The Cochrane Collaboration ACRIFLAVINE CHLORIDE

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 CHEMBL354349. 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
CHEMBL2916 Telomerase reverse transcriptase Homo sapiens 0.999
CHEMBL6137 Thymidylate synthase Escherichia coli 0.359
CHEMBL4468 Histamine H4 receptor Rattus norvegicus 0.230

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2916 Telomerase reverse transcriptase Homo sapiens 0.995
CHEMBL6137 Thymidylate synthase Escherichia coli 0.859
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 0.283

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
224.3 224.1188 2.34 0 55.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .26 -2 -2 3 17 0.35

Structural Alerts

There are 10 structural alerts for CHEMBL354349. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KKAJSJJFBSOMGS-UHFFFAOYSA-N
PubChem SID: 26748314 SID: 93576781
Wikipedia Acriflavinium_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL354349



ACToR 86-40-8
ChEBI 383703
eMolecules 4928538
EPA CompTox Dashboard DTXSID60273975
FDA SRS 1TW3Q60E36
Mcule MCULE-1473847819
PubChem 614013 6842
PubChem: Thomson Pharma 15197019
SureChEMBL SCHEMBL77746

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