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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284718
CHEMBL284718
Compound Name PIDOLIC ACID
ChEMBL Synonyms Pidolic acid
Max Phase 0
Trade Names
Molecular Formula C5H7NO3

Additional synonyms for CHEMBL284718 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1CCC(=O)N1
Standard InChI InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8, ...
Download InChI
Standard InChI Key ODHCTXKNWHHXJC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL284718

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
129.1 129.0426 -0.75 1 66.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.48 - -1.35 -4.88 0 9 0.49

Structural Alerts

There are no structural alerts for CHEMBL284718

Compound Cross References

ChemSpider ChemSpider:ODHCTXKNWHHXJC-UHFFFAOYSA-N
PubChem SID: 50086852
Wikipedia Pyroglutamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284718



ACToR 98-79-3
ChEBI 16010
eMolecules 495412
Guide to Pharmacology 4703
Human Metabolome Database HMDB0060262 HMDB0000805
IBM Patent System 2F99EDC3BFBF2B1BAB6C6B6AA7335B5B
Mcule MCULE-4175874303
Metabolights MTBLC16010
MolPort MolPort-001-791-750
Nikkaji J36.868G
NMRShiftDB 20031175
PubChem 499
PubChem: Thomson Pharma 14747636
SureChEMBL SCHEMBL15791

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