Bromopyruvate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Bromopyruvate
- DrugBank Accession Number
- DB17135
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 166.958
Monoisotopic: 165.926557 - Chemical Formula
- C3H3BrO3
- Synonyms
- 3-bromo-2-oxopropanoic acid
- 3-bromopyruvate
- 3-bromopyruvic acid
- Bromopyruvic acid
- External IDs
- NSC-11731
- NSC-62343
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 63JMV04GRK
- CAS number
- 1113-59-3
- InChI Key
- PRRZDZJYSJLDBS-UHFFFAOYSA-N
- InChI
- InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
- IUPAC Name
- 3-bromo-2-oxopropanoic acid
- SMILES
- OC(=O)C(=O)CBr
References
- General References
- Not Available
- External Links
- ChemSpider
- 63850
- ChEBI
- 95046
- ChEMBL
- CHEMBL177837
- ZINC
- ZINC000001718542
- PDBe Ligand
- BPV
- Wikipedia
- Bromopyruvic_acid
- PDB Entries
- 4mim
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 15.9 mg/mL ALOGPS logP 0.17 ALOGPS logP 0.79 Chemaxon logS -1 ALOGPS pKa (Strongest Acidic) 1.79 Chemaxon pKa (Strongest Basic) -9.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 54.37 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 25.73 m3·mol-1 Chemaxon Polarizability 10.34 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 18, 2022 21:32 / Updated at December 01, 2022 11:35