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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30285
CHEMBL30285
Compound Name IBOTENIC ACID
ChEMBL Synonyms Ibotenic Acid
Max Phase 0
Trade Names
Molecular Formula C5H6N2O4

Additional synonyms for CHEMBL30285 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H](C(=O)O)c1onc(O)c1
Standard InChI InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7, ...
Download InChI
Standard InChI Key IRJCBFDCFXCWGO-BYPYZUCNSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL30285

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
158.1 158.0328 -2.88 2 109.58 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.26 8.38 -1.99 -4.77 1 11 0.43

Structural Alerts

There are 1 structural alerts for CHEMBL30285. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IRJCBFDCFXCWGO-BYPYZUCNSA-N
PubChem SID: 11111320 SID: 11113435 SID: 124880422
Wikipedia Ibotenic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30285



ACToR 2552-55-8
BindingDB 50034501
eMolecules 31265908
FDA SRS L61L2F576C
IBM Patent System BECB7E4159FCE8B980CABB08AC991D1A
Nikkaji J386.590H
PubChem 6603885 6971208
SureChEMBL SCHEMBL153360
ZINC ZINC000001740317

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