Talabostat
Star1
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Talabostat
- DrugBank Accession Number
- DB06182
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 214.07
Monoisotopic: 214.148872 - Chemical Formula
- C9H19BN2O3
- Synonyms
- Talabostat
- External IDs
- PT 100
- PT-100
Pharmacology
- Indication
Investigated for use/treatment in lymphoma (non-hodgkin's), leukemia (lymphoid), lung cancer, melanoma, and pancreatic cancer.
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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
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 Talabostat mesylate V8ZG4Y1B51 150080-09-4 OXYYOEIGQRXGPI-WSZWBAFRSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Valine and derivatives
- Alternative Parents
- Alpha amino acid amides / N-acylpyrrolidines / Tertiary carboxylic acid amides / Boronic acids / Organic metalloid salts / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Monoalkylboranes / Monoalkylamines show 2 more
- Substituents
- Aliphatic heteromonocyclic compound / Alkylborane / Alpha-amino acid amide / Amine / Azacycle / Boronic acid / Boronic acid derivative / Carbonyl group / Carboxamide group / Hydrocarbon derivative show 16 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- KZ1O2SH88Z
- CAS number
- 149682-77-9
- InChI Key
- FKCMADOPPWWGNZ-YUMQZZPRSA-N
- InChI
- InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
- IUPAC Name
- [(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid
- SMILES
- CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
References
- General References
- Not Available
- External Links
- ChemSpider
- 5293769
- BindingDB
- 50050513
- ChEMBL
- CHEMBL67279
- ZINC
- ZINC000169746694
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Lung Cancer / Lung Neoplasm / Non-Small Cell Lung Carcinoma 1 3 Terminated Treatment Non-Small Cell Lung Carcinoma 1 2 Active Not Recruiting Treatment Advanced Malignant Solid Tumor / Recurrent Malignant Solid Neoplasm 1 2 Completed Treatment Cancer of the Skin / Melanoma 2 2 Completed Treatment Chronic Lymphocytic Leukemia 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 59.2 mg/mL ALOGPS logP -0.3 ALOGPS logP -0.2 Chemaxon logS -0.56 ALOGPS pKa (Strongest Acidic) 8.88 Chemaxon pKa (Strongest Basic) 8.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 86.79 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 52.34 m3·mol-1 Chemaxon Polarizability 23.37 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at March 19, 2008 16:16 / Updated at January 14, 2023 19:02