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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL144730
CHEMBL144730
Compound Name 5-BROMOURACIL
ChEMBL Synonyms 5-Bromouracil
Max Phase 0
Trade Names
Molecular Formula C4H3BrN2O2

Additional synonyms for CHEMBL144730 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES BrC1=CNC(=O)NC1=O
Standard InChI InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
Standard InChI Key LQLQRFGHAALLLE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL144730

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
191 189.9378 -0.56 0 58.2 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.77 - -.21 -1.13 0 9 0.54

Structural Alerts

There are 2 structural alerts for CHEMBL144730. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LQLQRFGHAALLLE-UHFFFAOYSA-N
Wikipedia 5-Bromouracil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL144730



Brenda 43886 2467
ChEBI 20552
eMolecules 486546 929926
EPA CompTox Dashboard DTXSID2058758
FDA SRS 4HK400G5UO
IBM Patent System 44C2786183E73D816CE161467F37A21C
Mcule MCULE-6639028202
MolPort MolPort-001-766-705 MolPort-001-641-071
Nikkaji J2.304C
NMRShiftDB 20027311
PDBe URB
PubChem 5802
PubChem: Thomson Pharma 16644995 14797329
SureChEMBL SCHEMBL29805
ZINC ZINC000000967318

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