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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL275040
CHEMBL275040
Compound Name KAINIC ACID
ChEMBL Synonyms KAINIC ACID
Max Phase 0
Trade Names
Molecular Formula C10H15NO4

Additional synonyms for CHEMBL275040 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-OOZYFLPDSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL275040

Molecule Features

CHEMBL275040 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov KAINIC ACID
The Cochrane Collaboration KAINIC ACID

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL275040. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3607 Glutamate receptor ionotropic kainate 2 Rattus norvegicus 1.000
CHEMBL3683 Glutamate receptor ionotropic kainate 2 Homo sapiens 1.000
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 1.000
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 0.999
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.991
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.954
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.918
CHEMBL3464 Nitric oxide synthase, inducible Mus musculus 0.384
CHEMBL3377 Neuraminidase Influenza B virus (strain B/Lee/1940) 0.255



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3607 Glutamate receptor ionotropic kainate 2 Rattus norvegicus 1.000
CHEMBL3683 Glutamate receptor ionotropic kainate 2 Homo sapiens 1.000
CHEMBL3744 Glutamate receptor ionotropic kainate 3 Rattus norvegicus 1.000
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 1.000
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 0.998
CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 Rattus norvegicus 0.996
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.975
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.939
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.793
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.432
CHEMBL2590 Aminopeptidase N Sus scrofa 0.385
CHEMBL1993 DNA (cytosine-5)-methyltransferase 1 Homo sapiens 0.317
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.293
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.290
CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 Homo sapiens 0.259
CHEMBL1907 Aminopeptidase N Homo sapiens 0.218
CHEMBL3464 Nitric oxide synthase, inducible Mus musculus 0.211

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
213.2 213.1001 0.33 4 86.63 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 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 0.59

Structural Alerts

There are 3 structural alerts for CHEMBL275040. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VLSMHEGGTFMBBZ-OOZYFLPDSA-N
PubChem SID: 144204456 SID: 170465818 SID: 26751654 SID: 26751655 SID: 29215026 SID: 47193868 SID: 50104344 SID: 90341532

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL275040



ACToR 487-79-6 59905-23-6
Atlas kainate kainic acid
BindingDB 50002369
Brenda 30102
ChEBI 31746
DrugCentral 3201
eMolecules 1934130
EPA CompTox Dashboard DTXSID7040526
FDA SRS SIV03811UC
IBM Patent System A6D62F7698819A65A9BF6CB35F44B9A9
KEGG Ligand C12819
Metabolights MTBLC31746
MolPort MolPort-001-729-040
Nikkaji J9.244D
NMRShiftDB 10017620
PDBe KAI
PubChem 44338126 10255
PubChem: Thomson Pharma 16167740 15220270
SureChEMBL SCHEMBL15777
ZINC ZINC000003995575

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