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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL39677
CHEMBL39677
Compound Name ACRIDINE
ChEMBL Synonyms Acridine
Max Phase 0
Trade Names
Molecular Formula C13H9N

Additional synonyms for CHEMBL39677 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2nc3ccccc3cc2c1
Standard InChI InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1 ...
Download InChI
Standard InChI Key DZBUGLKDJFMEHC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL39677

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
179.2 179.0735 3.35 0 12.89 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.56 3.45 3.44 3 14 0.48

Structural Alerts

There are 4 structural alerts for CHEMBL39677. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DZBUGLKDJFMEHC-UHFFFAOYSA-N
PubChem SID: 124892352 SID: 26755289
Wikipedia Acridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL39677



ACToR 260-94-6
Brenda 21809
ChEBI 36420
eMolecules 474863
EPA CompTox Dashboard DTXSID8059766
FDA SRS 42NI1P5Q1X
IBM Patent System DD5E0233BC040E6CF85D6E6316E9C56D
Mcule MCULE-5722792423
MolPort MolPort-001-759-270
Nikkaji J2.978E
NMRShiftDB 74925
PubChem 9215
PubChem: Thomson Pharma 15195151
SureChEMBL SCHEMBL8339
ZINC ZINC000008579950

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