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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2028348
CHEMBL2028348
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H12CaN2O6S

Additional synonyms for CHEMBL2028348 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].Cc1ccc(N=Nc2c(O)c(cc3ccccc23)C(=O)[O-])c(c1)S(=O)(=O) ...
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Standard InChI InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19- ...
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Standard InChI Key PZTQVMXMKVTIRC-RZLHGTIFSA-L

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2028348

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
386.4 386.0573 4.21 4 136.62 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-1.13 - 2.58 -1.92 3 27 0.45

Structural Alerts

There are 11 structural alerts for CHEMBL2028348. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PZTQVMXMKVTIRC-RZLHGTIFSA-L
PubChem SID: 144209948 SID: 539131

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2028348



ACToR 5281-04-9
eMolecules 17497734
FDA SRS ECW0LZ41X8
PubChem: Thomson Pharma 14758442
SureChEMBL SCHEMBL3184572

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PZTQVMXMKVTIRC-RZLHGTIFSA-L spacer
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