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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

Structural Alerts

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

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

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

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