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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL177837
CHEMBL177837
Compound Name BROMOPYRUVATE
ChEMBL Synonyms Bromopyruvic Acid
Max Phase 0
Trade Names
Molecular Formula C3H3BrO3

Additional synonyms for CHEMBL177837 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(=O)CBr
Standard InChI InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
Standard InChI Key PRRZDZJYSJLDBS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL177837

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
167 165.9266 0.35 2 54.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.84 - -.73 -4.47 0 7 0.48

Structural Alerts

There are 23 structural alerts for CHEMBL177837. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PRRZDZJYSJLDBS-UHFFFAOYSA-N
Wikipedia Bromopyruvic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL177837



ACToR 1113-59-3
Brenda 56923 39790 97572
ChEBI 95046 131461
eMolecules 484705
EPA CompTox Dashboard DTXSID7040940
FDA SRS 63JMV04GRK
IBM Patent System 45B5E2A45E4638445A85B589C77F8F41
LINCS LSM-6288
Mcule MCULE-4768170572
MolPort MolPort-001-770-667
Nikkaji J138.327B
PDBe BPV
PubChem 70684
PubChem: Thomson Pharma 14772525
SureChEMBL SCHEMBL8126
ZINC ZINC000001718542

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