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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL51085
CHEMBL51085
Compound Name EBSELEN
ChEMBL Synonyms Ebselen
Max Phase 0
Trade Names
Molecular Formula C13H9NOSe

Additional synonyms for CHEMBL51085 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1N([Se]c2ccccc12)c3ccccc3
Standard InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1 ...
Download InChI
Standard InChI Key DYEFUKCXAQOFHX-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL51085

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
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL51085

Compound Cross References

ChemSpider ChemSpider:DYEFUKCXAQOFHX-UHFFFAOYSA-N
PubChem SID: 11111148 SID: 11111149 SID: 124880036 SID: 124880040 SID: 144203691 SID: 26751591 SID: 50100237 SID: 50104231 SID: 50104232 SID: 50123266 SID: 50123267 SID: 56373765 SID: 56422439 SID: 85231032 SID: 856002 SID: 90341336
Wikipedia Ebselen

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL51085



ACToR 60940-34-3
BindingDB 34233
Brenda 2514 6966 204974 138807
ChEBI 77543
DrugBank DB12610
eMolecules 538006
EPA CompTox Dashboard DTXSID7045150
FDA SRS 40X2P7DPGH
LINCS LSM-2644
MolPort MolPort-003-666-383
NIH Clinical Collection SAM001247071
Nikkaji J22.968G
PubChem 3194
PubChem: Drugs of the Future 12013066
PubChem: Thomson Pharma 14848495
SureChEMBL SCHEMBL33829

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