Triciribine
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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
- Triciribine
- DrugBank Accession Number
- DB12405
- Background
Triciribine has been used in trials studying the treatment of Leukemia, Ovarian Cancer, HER2/Neu Negative, Breast Adenocarcinoma, and Stage IV Breast Cancer, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 320.309
Monoisotopic: 320.123303019 - Chemical Formula
- C13H16N6O4
- Synonyms
- Pentaazacentopthylene
- TCN
- Triciribina
- Triciribine
- Triciribinum
- External IDs
- NSC-154020
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
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 Triciribine phosphate Not Available Not Available Not applicable
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Glycosylamines
- Alternative Parents
- Pentoses / Pyrrolo[2,3-d]pyrimidines / Pyrrolo[3,4-d]pyridazines / Pyrimidines and pyrimidine derivatives / Pyridazines and derivatives / Imidolactams / Substituted pyrroles / Tetrahydrofurans / Heteroaromatic compounds / Amidrazones show 7 more
- Substituents
- Alcohol / Aromatic heteropolycyclic compound / Azacycle / Carboxylic acid amidrazone / Heteroaromatic compound / Hydrocarbon derivative / Imidolactam / Monosaccharide / N-glycosyl compound / Organic nitrogen compound show 15 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- nucleoside analogue (CHEBI:65310)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2421HMY9N6
- CAS number
- 35943-35-2
- InChI Key
- HOGVTUZUJGHKPL-HTVVRFAVSA-N
- InChI
- InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1
- IUPAC Name
- (2R,3R,4S,5R)-2-{5-amino-7-methyl-2,6,7,9,11-pentaazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,5,8,10-pentaen-2-yl}-5-(hydroxymethyl)oxolane-3,4-diol
- SMILES
- CN1N=C(N)C2=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C3=C2C1=NC=N3
References
- General References
- Not Available
- External Links
- PubChem Compound
- 65399
- PubChem Substance
- 347828651
- ChemSpider
- 58865
- BindingDB
- 50369528
- ChEBI
- 65310
- ChEMBL
- CHEMBL331237
- ZINC
- ZINC000003808299
- PDBe Ligand
- ZJB
- Wikipedia
- Triciribine
- PDB Entries
- 5aqg
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Hematological Malignancy / Leukemias 1 1, 2 Terminated Treatment Breast Adenocarcinoma / Breast Cancer Stage IIIc / Breast Cancer, Stage IIIB / Carcinoma Breast Stage IV / Estrogen Receptor Positive / HER2 negative / Recurrent Breast Carcinoma / Stage IIB Breast Cancer / Stage IIIA Breast Cancer 1 1, 2 Terminated Treatment Ovarian Cancer 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 7.91 mg/mL ALOGPS logP -1.4 ALOGPS logP -1.5 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 12.46 Chemaxon pKa (Strongest Basic) 8.33 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 144.47 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 90.56 m3·mol-1 Chemaxon Polarizability 31.22 Å3 Chemaxon Number of Rings 4 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, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0901000000-df45b8c236a426d1165d Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-0709000000-a42e0bcd1daa8636adb7 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0926000000-49a371b858ca4766c5e5 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-052r-4960000000-572d1ca0e60f9e0138b5 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00kr-1940000000-d1ca4d2d0fe87cc3803b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0940000000-6505ef43d1529104a7fa 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]- 186.4064743 predictedDarkChem Lite v0.1.0 [M-H]- 172.23465 predictedDeepCCS 1.0 (2019) [M+H]+ 185.3977743 predictedDarkChem Lite v0.1.0 [M+H]+ 174.63022 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.9334743 predictedDarkChem Lite v0.1.0 [M+Na]+ 180.54276 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:15 / Updated at September 28, 2023 05:47