Talabostat

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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Contraindications & Blackbox Warnings
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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
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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

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Product Ingredients
IngredientUNIICASInChI Key
Talabostat mesylateV8ZG4Y1B51150080-09-4OXYYOEIGQRXGPI-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
ChemSpider
5293769
BindingDB
50050513
ChEMBL
CHEMBL67279
ZINC
ZINC000169746694

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentLung Cancer / Lung Neoplasm / Non-Small Cell Lung Carcinoma1
3TerminatedTreatmentNon-Small Cell Lung Carcinoma1
2Active Not RecruitingTreatmentAdvanced Malignant Solid Tumor / Recurrent Malignant Solid Neoplasm1
2CompletedTreatmentCancer of the Skin / Melanoma2
2CompletedTreatmentChronic Lymphocytic Leukemia1

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
PropertyValueSource
Water Solubility59.2 mg/mLALOGPS
logP-0.3ALOGPS
logP-0.2Chemaxon
logS-0.56ALOGPS
pKa (Strongest Acidic)8.88Chemaxon
pKa (Strongest Basic)8.27Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area86.79 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity52.34 m3·mol-1Chemaxon
Polarizability23.37 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00dm-9300000000-672c14db58b6d5589126
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-4930000000-974242186de05106849e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002b-1900000000-cf9d10f02bbc52be3848
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxr-6900000000-0404bd6c165231517d18
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kb-9600000000-7c24133c8d2fc36ddee4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-9100000000-e72ff63d30c1c861bfcd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ab9-9000000000-607630c796fe2ac158ad
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 19, 2008 16:16 / Updated at January 14, 2023 19:02