Vistusertib

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
Vistusertib
Accession Number
DB11925
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
AZD-2014 / AZD2014
Categories
UNII
0BSC3P4H5X
CAS number
1009298-59-2
Weight
Average: 462.554
Monoisotopic: 462.23793885
Chemical Formula
C25H30N6O3
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

Pharmacology

Indication
Not Available
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
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
25262792
PubChem Substance
347828256
ChemSpider
28294977
BindingDB
50429701
ChEMBL
CHEMBL2336325

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingBasic ScienceAdvanced Metastatic Breast Cancer1
1Active Not RecruitingTreatmentAdvanced Castrate-resistant Prostate Cancer (CRPC) / Advanced Castrate-resistant Prostate Cancer CRPC / Squamous Non-Small Cell Lung Cancer (sqNSCLC) / Squamous Non-Small Cell Lung Cancer sqNSCLC / Triple Negative Breast Cancer (TNBC) / Triple Negative Breast Cancer TNBC1
1Active Not RecruitingTreatmentAdvanced Solid Malignancies1
1Active Not RecruitingTreatmentAdvanced and Metastatic Breast Cancer1
1Active Not RecruitingTreatmentGlioblastoma Multiforme (GBM)1
1Active Not RecruitingTreatmentMuscle Invasive Bladder Cancer1
1CompletedOtherSolid Malignancies1
1CompletedTreatmentAdvanced Solid Malignancies1
1CompletedTreatmentProstate Cancer1
1RecruitingTreatmentCancer, Advanced1
1WithdrawnTreatmentCore: Relapsed or Refractory Diffuse Large B-Cell Lymphoma / Module 1: Non-GCB Diffuse Large B-Cell Lymphoma1
1, 2Active Not RecruitingTreatmentCancer, Breast / Malignant Female Reproductive System Neoplasm1
1, 2Active Not RecruitingTreatmentLymphoma, Large B-Cell, Diffuse (DLBCL) / Richter's Syndrome1
1, 2Active Not RecruitingTreatmentNon-squamous Cell Lung Cancer With KRAS Mutations / Non-squamous Cell Lung Cancer With Wild-type KRAS / Squamous Cell Carcinoma of Lung / Triple-Negative Breast Cancer (TNBC)1
1, 2RecruitingTreatmentEndometrial Carcinoma / Hormone Receptor Positive Tumor / Metastatic Carcinoma1
1, 2RecruitingTreatmentMetastatic Malignant Solid Neoplasm / Progressive Disease / Recurrent Lung Small Cell Carcinoma / Recurrent Malignant Solid Neoplasm / Recurrent Small Cell Lung Carcinoma / Stage III Lung Small Cell Carcinoma AJCC v7 / Stage III Small Cell Lung Carcinoma AJCC v7 / Stage IIIA Lung Small Cell Carcinoma AJCC v7 / Stage IIIA Small Cell Lung Carcinoma AJCC v7 / Stage IIIB Lung Small Cell Carcinoma AJCC v7 / Stage IIIB Small Cell Lung Carcinoma AJCC v7 / Stage IV Lung Small Cell Carcinoma AJCC v7 / Stage IV Small Cell Lung Carcinoma AJCC v7 / Unresectable Solid Neoplasm1
2Active Not RecruitingTreatmentLymphoma, Large B-Cell, Diffuse (DLBCL)1
2Active Not RecruitingTreatmentMeningiomas / Neurofibromatosis 21
2Active Not RecruitingTreatmentMetastatic Non-Small Cell Lung Cancer1
2RecruitingTreatmentAdenocarcinomas / Lung Cancer Non-Small Cell Cancer (NSCLC) / Squamous Cell Carcinoma (SCC)1
2RecruitingTreatmentEstrogen Receptor Positive Breast Cancer1
2RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2RecruitingTreatmentMeningiomas1
2RecruitingTreatmentMetastatic Breast Cancer (MBC)1
2TerminatedTreatmentAdvanced Gastric Adenocarcinoma1
2TerminatedTreatmentCancer of Stomach1
2TerminatedTreatmentLung Cancer Small Cell Lung Cancer (SCLC)1
2TerminatedTreatmentMetastatic Clear Cell Renal Carcinoma1
2TerminatedTreatmentStomach Neoplasms1
2WithdrawnTreatmentTumors, Solid2

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/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 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 / Pyrido[2,3-d]pyrimidine / Pyridopyrimidine / Benzamide / Benzoic acid or derivatives / Benzoyl / Dialkylarylamine / Aminopyrimidine / Monocyclic benzene moiety / Morpholine
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:01 / Updated on June 04, 2019 07:29