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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL68500
CHEMBL68500
Compound Name ALLOXAZINE
ChEMBL Synonyms Alloxazine
Max Phase 0
Trade Names
Molecular Formula C10H6N4O2

Additional synonyms for CHEMBL68500 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC(=O)c2nc3ccccc3nc2N1
Standard InChI InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6) ...
Download InChI
Standard InChI Key HAUGRYOERYOXHX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL68500

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
214.2 214.0491 0.16 0 91.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.79 - 1.16 .14 3 16 0.52

Structural Alerts

There are no structural alerts for CHEMBL68500

Compound Cross References

ChemSpider ChemSpider:HAUGRYOERYOXHX-UHFFFAOYSA-N
PubChem SID: 11110697 SID: 49645529 SID: 50105899 SID: 85230889 SID: 90340898

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL68500



ACToR 490-59-5
BindingDB 82038 152532
ChEBI 37325 37327
eMolecules 533975 1970364
EPA CompTox Dashboard DTXSID50197656
FDA SRS 880W3VF9YW
Guide to Pharmacology 456
IBM Patent System 77A129A3F1955EFCBCAD2476AFC9C147
LINCS LSM-2889
Mcule MCULE-8469415125
MolPort MolPort-006-809-496 MolPort-000-873-349 MolPort-001-002-013
Nikkaji J9.383A
PubChem 5372720
PubChem: Thomson Pharma 15365357
SureChEMBL SCHEMBL57289
ZINC ZINC000018804836

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