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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

Structural Alerts

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

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

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 6971208 6603885
SureChEMBL SCHEMBL153360
ZINC ZINC01740317

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