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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL81880
CHEMBL81880
Compound Name ACRIDINE ORANGE
ChEMBL Synonyms Acridine Orange
Max Phase 0
Trade Names
Molecular Formula C17H19N3

Additional synonyms for CHEMBL81880 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C
Standard InChI InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17 ...
Download InChI
Standard InChI Key DPKHZNPWBDQZCN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL81880

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
265.4 265.1579 3.68 2 19.37 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.97 3.37 1.09 3 20 0.66

Structural Alerts

There are 4 structural alerts for CHEMBL81880. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DPKHZNPWBDQZCN-UHFFFAOYSA-N
PubChem SID: 449650
Wikipedia Acridine_orange

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL81880



ACToR 494-38-2
BindingDB 50105462
ChEBI 87346
eMolecules 490626
EPA CompTox Dashboard DTXSID60197783
FDA SRS F30N4O6XVV
IBM Patent System 1B8499B8981B2F3609A8566632AB724F
KEGG Ligand C19315
Mcule MCULE-8917876301
MolPort MolPort-001-789-089
Nikkaji J1.559H
PubChem 62344
PubChem: Thomson Pharma 16035647
SureChEMBL SCHEMBL297155
ZINC ZINC000004262317

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