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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL240390
CHEMBL240390
Compound Name EGTAZIC ACID
ChEMBL Synonyms EGTA | EGTAZIC ACID
Max Phase 0
Trade Names
Molecular Formula C14H24N2O10

Additional synonyms for CHEMBL240390 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
Standard InChI InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26 ...
Download InChI
Standard InChI Key DEFVIWRASFVYLL-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL240390

Molecule Features

CHEMBL240390 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov EGTAZIC ACID
The Cochrane Collaboration EGTAZIC 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 CHEMBL240390. 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
CHEMBL281 Carbonic anhydrase IV Bos taurus 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.991
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.972
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.969
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.743
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.654
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.216



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL281 Carbonic anhydrase IV Bos taurus 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.983
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.938
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.740
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 0.738
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.599

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
380.4 380.1431 -2.04 17 174.14 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 12 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.47 9.29 -.39 -5.43 0 26 0.2

Structural Alerts

There are 8 structural alerts for CHEMBL240390. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DEFVIWRASFVYLL-UHFFFAOYSA-N
PubChem SID: 11111153 SID: 144203692 SID: 170466544 SID: 50106296 SID: 85231036 SID: 90340911
Wikipedia EGTA_(chemical)

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL240390



ACToR 68243-57-2 67-42-5 33382-61-5
Brenda 108931 151174 93361 44119 93545 173 138709 93363 108933 15756 85390
ChEBI 30740
ChemicalBook CB7671001
eMolecules 475672
EPA CompTox Dashboard DTXSID2045151
FDA SRS 526U7A2651
IBM Patent System 276F6768C9093072157D85615C74403B
Mcule MCULE-9762822541
MolPort MolPort-001-794-631
Nikkaji J10.340C
PubChem 6207
PubChem: Thomson Pharma 15326875
SureChEMBL SCHEMBL22901
ZINC ZINC000003861663

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