This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- alpha-Keto-isoleucine
- DrugBank Accession Number
- DB15833
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for alpha-Keto-isoleucine (DB15833)
- Weight
- Average: 130.143
Monoisotopic: 130.062994182 - Chemical Formula
- C6H10O3
- Synonyms
- L-2-Keto-3-methylvalerate
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key alpha-Keto-isoleucine calcium 85RJ2N890T 51828-96-7 PTFSVYLXDCGPFY-SCGRZTRASA-L
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- XQL9PAO004
- CAS number
- 24809-08-3
- InChI Key
- JVQYSWDUAOAHFM-BYPYZUCNSA-N
- InChI
- InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
- IUPAC Name
- (3S)-3-methyl-2-oxopentanoic acid
- SMILES
- CC[C@H](C)C(=O)C(O)=O
References
- General References
- Not Available
- External Links
- KEGG Compound
- C00671
- ChemSpider
- 388419
- ChEBI
- 15614
- ZINC
- ZINC000001532715
- PDBe Ligand
- 1QQ
- PDB Entries
- 1jd2 / 4obb / 8jdz
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 4 Completed Treatment Diabetic Nephropathy 1 4 Unknown Status Treatment Muscular Atrophy 1 3 Recruiting Supportive Care Nephrotic Syndrome 1 2, 3 Not Yet Recruiting Treatment Hemodialysis Treatment / Kidney Function 1 1, 2 Completed Basic Science Renal Insufficiency,Chronic 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet, coated Oral Drug delivery system Oral 0.105 g Tablet Oral 105.000 mg Tablet Oral 67.000 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 9.86 mg/mL ALOGPS logP 1 ALOGPS logP 1.75 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 3.52 Chemaxon pKa (Strongest Basic) -9.7 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 3 Chemaxon Refractivity 31.79 m3·mol-1 Chemaxon Polarizability 13.09 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0670-9000000000-34711c21c1a956942328 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-4900000000-357c6d15437f7414b372 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-066r-9000000000-adcd15baae8b1eb00c4a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-a1d407fa8db6b1eaa49c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-122e739ef823107a6230 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-fd453e4c87c3286f1585 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 128.9572066 predictedDarkChem Lite v0.1.0 [M-H]- 122.62854 predictedDeepCCS 1.0 (2019) [M+H]+ 128.4158066 predictedDarkChem Lite v0.1.0 [M+H]+ 126.36653 predictedDeepCCS 1.0 (2019) [M+Na]+ 128.5304066 predictedDarkChem Lite v0.1.0 [M+Na]+ 135.0496 predictedDeepCCS 1.0 (2019)
Drug created at September 14, 2020 18:59 / Updated at February 13, 2021 11:03