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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL273481
CHEMBL273481
Compound Name MUSCIMOL
ChEMBL Synonyms Muscimol Hydrobromide | Muscimol
Max Phase 0
Trade Names
Molecular Formula C4H6N2O2

Additional synonyms for CHEMBL273481 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCc1onc(O)c1
Standard InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
Standard InChI Key ZJQHPWUVQPJPQT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL273481

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
114.1 114.0429 -0.24 1 72.28 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.42 8.31 -2.03 -2.69 1 8 0.53

Structural Alerts

There are no structural alerts for CHEMBL273481

Compound Cross References

ChemSpider ChemSpider:ZJQHPWUVQPJPQT-UHFFFAOYSA-N
PubChem SID: 11111210 SID: 11113437 SID: 90341084
Wikipedia Muscimol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL273481



ACToR 2489-10-3
BindingDB 23183 50052792
ChEBI 7035
eMolecules 5754061 529330
EPA CompTox Dashboard DTXSID5041069
FDA SRS D5M179TY2E
Guide to Pharmacology 4090 4259
IBM Patent System 196E626787445CA28D6D82BE8FCF292B 0E5C07D302CD56492AFE4F3F19FD9345
KEGG Ligand C08311
Metabolights MTBLC7035
MolPort MolPort-003-849-288
Nikkaji J7.909J
PubChem 12313010 4266
PubChem: Thomson Pharma 14769298 15119776
SureChEMBL SCHEMBL149693
ZINC ZINC000022064260

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