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

Identification
NameAZD-8055
Accession NumberDB12774
TypeSmall Molecule
GroupsInvestigational
Description

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

Structure
Thumb
SynonymsNot Available
External IDs AZD 8055 / AZD8055
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII970JJ37FPW
CAS number1009298-09-2
WeightAverage: 465.554
Monoisotopic: 465.237604498
Chemical FormulaC25H31N5O4
InChI KeyKVLFRAWTRWDEDF-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
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions Not Available
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
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
Properties
StateNot Available
Experimental PropertiesNot 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 featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis 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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPhenylpyridines
Direct ParentPhenylpyridines
Alternative ParentsPyrido[2,3-d]pyrimidines / Phenoxy compounds / Methoxybenzenes / Anisoles / Dialkylarylamines / Benzyl alcohols / Alkyl aryl ethers / Aminopyrimidines and derivatives / Morpholines / Imidolactams
Substituents2-phenylpyridine / Pyrido[2,3-d]pyrimidine / Pyridopyrimidine / Phenoxy compound / Anisole / Phenol ether / Benzyl alcohol / Methoxybenzene / Dialkylarylamine / Alkyl aryl ether
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 18:10 / Updated on September 01, 2017 12:24