NAV

Onatasertib

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

Identification

Generic Name
Onatasertib
DrugBank Accession Number
DB12570
Background

Onatasertib (CC-223) has been used in trials studying the treatment and basic science of Multiple Myeloma, Glioblastoma Multiforme, HepatoCellular Carcinoma, Non-small Cell Lung Cancer, and Diffuse Large B-Cell Lymphoma, among others.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 397.479
Monoisotopic: 397.211389749
Chemical Formula
C21H27N5O3
Synonyms
Not Available
External IDs
  • CC 223
  • CC-223
  • CC223

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Secondary alkylarylamines / Pyridines and derivatives / Pyrazines / Imidolactams / Tertiary carboxylic acid amides / Tertiary alcohols / Heteroaromatic compounds / Lactams / Dialkyl ethers / Azacyclic compounds
show 5 more
Substituents
Alcohol / Alpha-amino acid or derivatives / Amine / Aromatic alcohol / Aromatic heteropolycyclic compound / Azacycle / Carbonyl group / Carboxamide group / Dialkyl ether / Ether
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
I8RA3543SY
CAS number
1228013-30-6
InChI Key
UFKLYTOEMRFKAD-SHTZXODSSA-N
InChI
InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15-
IUPAC Name
7-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(1r,4r)-4-methoxycyclohexyl]-1H,2H,3H,4H-pyrazino[2,3-b][1,4]diazin-2-one
SMILES
CO[C@H]1CC[C@@H](CC1)N1C(=O)CNC2=C1N=C(C=N2)C1=CN=C(C=C1)C(C)(C)O

References

General References
Not Available
PubChem Compound
58298316
PubChem Substance
347828792
ChemSpider
35308326
BindingDB
50092783
ChEMBL
CHEMBL3586404
ZINC
ZINC000114617828

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentDiffuse Large B-Cell Lymphoma (DLBCL)1
1CompletedBasic ScienceHealthy Subjects (HS)1
1CompletedOtherSafety and Pharmacokinetics in Healthy Volunteer Subjects1
1CompletedTreatmentNon-Small Cell Lung Cancer (NSCLC) / Non-Small Cell Lung Carcinoma1
1, 2CompletedTreatmentDiffuse Large B-Cell Lymphoma (DLBCL) / Glioblastoma Multiforme (GBM) / Hepatocellular Carcinoma / Hormone Receptor Positive Breast Carcinoma / Multiple Myeloma (MM) / Neuroendocrine Tumors of Non-Pancreatic Origin / Non-Small Cell Lung Cancer (NSCLC)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
PropertyValueSource
Water Solubility0.109 mg/mLALOGPS
logP2.79ALOGPS
logP1.19Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)13.62Chemaxon
pKa (Strongest Basic)3.61Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area100.47 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity109.53 m3·mol-1Chemaxon
Polarizability43.3 Å3Chemaxon
Number of Rings4Chemaxon
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 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

Drug created at October 20, 2016 22:56 / Updated at December 06, 2022 13:40