NAV

AZD-8055

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

Identification

Generic Name
AZD-8055
DrugBank Accession Number
DB12774
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 465.554
Monoisotopic: 465.237604498
Chemical Formula
C25H31N5O4
Synonyms
Not Available
External IDs
  • AZD 8055
  • AZD8055
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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 / Phenoxy compounds / Methoxybenzenes / Anisoles / Dialkylarylamines / Benzyl alcohols / Alkyl aryl ethers / Aminopyrimidines and derivatives / Morpholines / Imidolactams
show 8 more
Substituents
2-phenylpyridine / Alcohol / Alkyl aryl ether / Aminopyrimidine / Anisole / Aromatic alcohol / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzyl alcohol
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
970JJ37FPW
CAS number
1009298-09-2
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[C@@H]1C)N1CCOC[C@@H]1C

References

General References
Not Available
PubChem Compound
25262965
PubChem Substance
347828957
ChemSpider
24747394
BindingDB
50348452
ChEBI
91329
ChEMBL
CHEMBL1801204
ZINC
ZINC000052509466

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Hepatocellular Carcinoma (HCC) / Cancer1
1CompletedTreatmentAdvanced Malignant Solid Tumor / Cancer / Solid Tumors1
1CompletedTreatmentAnaplastic Astrocytoma (AA) / Anaplastic Oligodendroglioma (AO) / Brain Stem Gliomas / Glioblastoma Multiforme (GBM) / Malignant Glioma1
1CompletedTreatmentSolid Tumors1
1WithdrawnTreatmentAdvanced Solid Tumors / Cancer / Lymphoma1

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/MSsplash10-014j-0000900000-0f345764121d86ea30df
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-0000900000-4a679b6254c7893c8374
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03e9-0000900000-9020ff1481deb6f37486
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0avj-0000900000-2933c94d07eba8e94a6d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-0001900000-1586ce4e1d333d254a50
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0009500000-f49b449b5a295a8ef910
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]-196.20204
predicted
DeepCCS 1.0 (2019)
[M+H]+198.59761
predicted
DeepCCS 1.0 (2019)
[M+Na]+204.51013
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:10 / Updated at June 12, 2020 16:53