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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL329221
CHEMBL329221
Compound Name
ChEMBL Synonyms Acridine Yellow
Max Phase 0
Trade Names
Molecular Formula C15H15N3

Additional synonyms for CHEMBL329221 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc2cc3cc(C)c(N)cc3nc2cc1N
Standard InChI InChI=1S/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(1 ...
Download InChI
Standard InChI Key HGHJYCKSBMCGRK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL329221

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
237.3 237.1266 2.83 0 64.92 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.99 2.32 .19 3 18 0.47

Structural Alerts

There are 7 structural alerts for CHEMBL329221. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HGHJYCKSBMCGRK-UHFFFAOYSA-N
Wikipedia Acridine_yellow

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL329221



ACToR 92-26-2 120370-23-2
BindingDB 50105464
EPA CompTox Dashboard DTXSID9059046
IBM Patent System F4CC94BBE59CF4E8074096A536215C3F
Mcule MCULE-1040150583
Nikkaji J3.928D
PubChem 7081
PubChem: Thomson Pharma 15267747
SureChEMBL SCHEMBL68757
ZINC ZINC000003874004

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