Triciribine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Triciribine
Accession Number
DB12405
Type
Small Molecule
Groups
Investigational
Description

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.

Structure
Thumb
Synonyms
Not Available
External IDs
NSC-154020
Categories
UNII
2421HMY9N6
CAS number
35943-35-2
Weight
Average: 320.309
Monoisotopic: 320.123303019
Chemical Formula
C13H16N6O4
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,3S,4R,5R)-2-(hydroxymethyl)-5-{5-imino-7-methyl-2,6,7,9,11-pentaazatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,8(12),9-tetraen-2-yl}oxolane-3,4-diol
SMILES
[H][C@]1(CO)O[C@@]([H])(N2C=C3C4=C(N=CN=C24)N(C)NC3=N)[C@]([H])(O)[C@]1([H])O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
65399
PubChem Substance
347828651
ChemSpider
58865
BindingDB
50369528
ChEBI
65310
ChEMBL
CHEMBL331237
HET
ZJB
Wikipedia
Triciribine
PDB Entries
5aqg

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentLeukemias / Malignancies, Hematologic1
1, 2RecruitingTreatmentBreast Adenocarcinoma / Estrogen Receptor Positive / HER2/Neu Negative / Recurrent Breast Carcinoma / Stage IIB Breast Cancer / Stage IIIA Breast Cancer / Stage IIIB Breast Cancer / Stage IIIC Breast Cancer / Stage IV Breast Cancer1
1, 2RecruitingTreatmentCancer of the Ovary1

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
PropertyValueSource
Water Solubility9.02 mg/mLALOGPS
logP-1.7ALOGPS
logP-1.3ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)12.46ChemAxon
pKa (Strongest Basic)8.35ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area139.75 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity110.26 m3·mol-1ChemAxon
Polarizability31.21 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
N-glycosyl compound / Pentose monosaccharide / Pyrrolo[2,3-d]pyrimidine / Pyrrolo[3,4-d]pyridazine / Pyrrolopyrimidine / Monosaccharide / Pyridazine / Pyrimidine / Imidolactam / Substituted pyrrole
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
nucleoside analogue (CHEBI:65310)

Drug created on October 20, 2016 16:15 / Updated on May 01, 2019 11:27