AZD-8055

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

Identification

Name
AZD-8055
Accession Number
DB12774
Type
Small Molecule
Groups
Investigational
Description

AZD8055 has been used in trials studying the treatment of Cancer, Lymphomas, Solid Tumors, MALIGNANT GLIOMA, and brainstem glioma, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD 8055 / AZD8055
Categories
UNII
970JJ37FPW
CAS number
1009298-09-2
Weight
Average: 465.554
Monoisotopic: 465.237604498
Chemical Formula
C25H31N5O4
InChI Key
KVLFRAWTRWDEDF-IRXDYDNUSA-N
InChI
InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1
IUPAC Name
(5-{2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol
SMILES
COC1=CC=C(C=C1CO)C1=CC=C2C(=N1)N=C(N=C2N1CCOC[[email protected]@H]1C)N1CCOC[[email protected]@H]1C

Pharmacology

Indication
Not Available
Structured Indications
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
25262965
PubChem Substance
347828957
ChemSpider
24747394
BindingDB
50348452
ChEBI
91329
ChEMBL
CHEMBL1801204

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Hepatocellular Carcinoma / Cancers1
1CompletedTreatmentAdvanced Solid Malignancies / Cancers / Tumors, Solid1
1CompletedTreatmentAnaplastic Astrocytoma (AA) / Anaplastic Oligodendroglioma (AO) / Brain Stem Gliomas / Glioblastoma Multiforme / Malignant Gliomas1
1CompletedTreatmentTumors, Solid1
1WithdrawnTreatmentAdvanced Solid Tumours / Cancers / Malignant Lymphomas1

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 Solubility0.241 mg/mLALOGPS
logP2.87ALOGPS
logP3.53ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)14.59ChemAxon
pKa (Strongest Basic)2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area93.07 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity132.36 m3·mol-1ChemAxon
Polarizability51.7 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 / Phenoxy compounds / Methoxybenzenes / Anisoles / Dialkylarylamines / Benzyl alcohols / Alkyl aryl ethers / Aminopyrimidines and derivatives / Morpholines / Imidolactams
show 8 more
Substituents
2-phenylpyridine / Pyrido[2,3-d]pyrimidine / Pyridopyrimidine / Phenoxy compound / Anisole / Phenol ether / Benzyl alcohol / Methoxybenzene / Dialkylarylamine / Alkyl aryl ether
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:10 / Updated on November 09, 2017 05:12