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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL436589
CHEMBL436589
Compound Name ACRIDONE
ChEMBL Synonyms 9(10H)-Acridone | Acridin-9(10H)-one
Max Phase 0
Trade Names
Molecular Formula C13H9NO

Additional synonyms for CHEMBL436589 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1c2ccccc2Nc3ccccc13
Standard InChI InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)1 ...
Download InChI
Standard InChI Key FZEYVTFCMJSGMP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL436589

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
195.2 195.0684 2.68 0 32.86 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.23 3.23 3 15 0.55

Structural Alerts

There are 1 structural alerts for CHEMBL436589. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FZEYVTFCMJSGMP-UHFFFAOYSA-N
PubChem SID: 14742234
Wikipedia Acridone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL436589



ACToR 578-95-0 643-62-9
BindingDB 74759
ChEBI 50756
ChemicalBook CB5264685
eMolecules 474875 1867815
EPA CompTox Dashboard DTXSID8060371
FDA SRS 6BK306GUQA
IBM Patent System 2C3D17BA1C222401688533F5249B6AC3 F4E982461E6C70EDC26E06B46F6111BA
Mcule MCULE-1876725898
MolPort MolPort-000-732-014 MolPort-000-664-634
Nikkaji J1.702.427B J66.880J
NMRShiftDB 10017816
PubChem 2015
PubChem: Thomson Pharma 15120874 15195416
SureChEMBL SCHEMBL19289
ZINC ZINC000008628578

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