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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL27527
CHEMBL27527
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H15NO4

Additional synonyms for CHEMBL27527 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)[C@@H]1CN[C@H]([C@@H]1CC(=O)O)C(=O)O
Standard InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6 ...
Download InChI
Standard InChI Key VLSMHEGGTFMBBZ-BKPPORCPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL27527

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
213.2 213.1001 -2.51 4 86.63 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.03 10.7 .64 -2.86 0 15 0.45

Structural Alerts

There are 3 structural alerts for CHEMBL27527. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VLSMHEGGTFMBBZ-BKPPORCPSA-N
Wikipedia Kainic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL27527



Nikkaji J1.908.894D
PubChem 10036135
PubChem: Thomson Pharma 15018365
SureChEMBL SCHEMBL6933290
ZINC ZINC000001481864

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