NAV

Vistusertib

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

Identification

Generic Name
Vistusertib
DrugBank Accession Number
DB11925
Background

Vistusertib is under investigation for the treatment of Advanced Gastric Adenocarcinoma.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 462.554
Monoisotopic: 462.23793885
Chemical Formula
C25H30N6O3
Synonyms
  • Vistusertib
External IDs
  • AZD-2014
  • AZD2014
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Pharmacology

Indication

Not Available

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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Phenylpyridines
Direct Parent
Phenylpyridines
Alternative Parents
Pyrido[2,3-d]pyrimidines / Benzamides / Dialkylarylamines / Benzoyl derivatives / Aminopyrimidines and derivatives / Morpholines / Imidolactams / Heteroaromatic compounds / Secondary carboxylic acid amides / Oxacyclic compounds
show 4 more
Substituents
2-phenylpyridine / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Benzamide / Benzenoid / Benzoic acid or derivatives / Benzoyl / Carboxamide group
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0BSC3P4H5X
CAS number
1009298-59-2
InChI Key
JUSFANSTBFGBAF-IRXDYDNUSA-N
InChI
InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1
IUPAC Name
3-{2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl}-N-methylbenzamide
SMILES
CNC(=O)C1=CC(=CC=C1)C1=CC=C2C(N=C(N=C2N2CCOC[C@@H]2C)N2CCOC[C@@H]2C)=N1

References

General References
Not Available
PubChem Compound
25262792
PubChem Substance
347828256
ChemSpider
28294977
BindingDB
50429701
ChEMBL
CHEMBL2336325
ZINC
ZINC000059258964

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentAdenocarcinomas / Non-Small Cell Lung Cancer (NSCLC) / Squamous Cell Carcinoma (SCC)1
2Active Not RecruitingTreatmentMeningiomas1
2Active Not RecruitingTreatmentMetastatic Breast Cancer1
2Active Not RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)1
2CompletedTreatmentDiffuse Large B-Cell Lymphoma (DLBCL)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 Solubility0.0692 mg/mLALOGPS
logP3.22ALOGPS
logP3.53Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)14.84Chemaxon
pKa (Strongest Basic)2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area92.71 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity133.06 m3·mol-1Chemaxon
Polarizability51.35 Å3Chemaxon
Number of Rings5Chemaxon
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/MSsplash10-03di-0000900000-71fdcefa35e8eaf15aba
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0inl-0001900000-9a451d20213f22df6275
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q9-0000900000-d22adcbe3bda4b7eb6fd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0003900000-f8f2b203b68eccaa25a7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pc0-0001900000-35d9aa137f4005a77fb8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-0119400000-28db72611eff7a6c5958
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-240.2153545
predicted
DarkChem Lite v0.1.0
[M-H]-201.31212
predicted
DeepCCS 1.0 (2019)
[M+H]+241.0468545
predicted
DarkChem Lite v0.1.0
[M+H]+203.70767
predicted
DeepCCS 1.0 (2019)
[M+Na]+240.8414545
predicted
DarkChem Lite v0.1.0
[M+Na]+209.6202
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:01 / Updated at February 21, 2021 18:53