Tesetaxel
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tesetaxel
- DrugBank Accession Number
- DB12019
- Background
Tesetaxel has been used in trials studying the treatment of Cancer, Melanoma, Prostate Cancer, Gastric Carcinoma, and Advanced Melanoma, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 881.992
Monoisotopic: 881.411017167 - Chemical Formula
- C46H60FN3O13
- Synonyms
- Tesetaxel
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzoic acids and derivatives
- Direct Parent
- Benzoic acid esters
- Alternative Parents
- Tricarboxylic acids and derivatives / Benzoyl derivatives / Fatty acid esters / Aryl fluorides / Pyridines and derivatives / Monosaccharides / 1,3-dioxolanes / Tertiary alcohols / Carbamate esters / Heteroaromatic compounds show 14 more
- Substituents
- Acetal / Alcohol / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzoate ester / Benzoyl show 30 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- UG97LO5M8Y
- CAS number
- 333754-36-2
- InChI Key
- MODVSQKJJIBWPZ-VLLPJHQWSA-N
- InChI
- InChI=1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1
- IUPAC Name
- (2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-(acetyloxy)-18-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-fluoropyridin-2-yl)-2-hydroxypropanoyl]oxy}-4-[(dimethylamino)methyl]-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.0^{2,6}.0^{7,14}.0^{10,13}]icos-1(19)-en-15-yl benzoate
- SMILES
- CN(C)C[C@@H]1O[C@H]2[C@@H](O1)[C@]1(C)CC[C@H]3OC[C@@]3(OC(C)=O)[C@H]1[C@H](OC(=O)C1=CC=CC=C1)[C@]1(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C3=C(F)C=CC=N3)C(C)=C2C1(C)C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 6918574
- PubChem Substance
- 347828335
- ChemSpider
- 5293771
- ChEMBL
- CHEMBL2107787
- ZINC
- ZINC000169292819
- Wikipedia
- Tesetaxel
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Breast Cancer 1 2 Completed Treatment Advanced Melanoma / Cancer 1 2 Terminated Treatment Breast Cancer 2 2 Unknown Status Treatment Adenocarcinomas of the Gastroesophageal Junction / Gastric Adenocarcinoma 1 2 Unknown Status Treatment Breast Neoplasms 1
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 0.0157 mg/mL ALOGPS logP 3.71 ALOGPS logP 4.07 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 11.75 Chemaxon pKa (Strongest Basic) 7.55 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 201.51 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 221.02 m3·mol-1 Chemaxon Polarizability 90.18 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 270.25635 predictedDeepCCS 1.0 (2019) [M+H]+ 271.90955 predictedDeepCCS 1.0 (2019) [M+Na]+ 278.06638 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:11 / Updated at February 21, 2021 18:53