AZD-8055
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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
- Weight
- Average: 465.554
Monoisotopic: 465.237604498 - Chemical Formula
- C25H31N5O4
- Synonyms
- Not Available
- External IDs
- AZD 8055
- AZD8055
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 25262965
- PubChem Substance
- 347828957
- ChemSpider
- 24747394
- BindingDB
- 50348452
- ChEBI
- 91329
- ChEMBL
- CHEMBL1801204
- ZINC
- ZINC000052509466
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Advanced Hepatocellular Carcinoma (HCC) / Cancer 1 1 Completed Treatment Advanced Malignant Solid Tumor / Cancer / Solid Tumors 1 1 Completed Treatment Anaplastic Astrocytoma (AA) / Anaplastic Oligodendroglioma (AO) / Brain Stem Gliomas / Glioblastoma Multiforme (GBM) / Malignant Glioma 1 1 Completed Treatment Solid Tumors 1 1 Withdrawn Treatment Advanced Solid Tumors / Cancer / Lymphoma 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
Property Value Source Water Solubility 0.241 mg/mL ALOGPS logP 2.87 ALOGPS logP 3.53 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 14.59 Chemaxon pKa (Strongest Basic) 2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 93.07 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 132.36 m3·mol-1 Chemaxon Polarizability 51.7 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014j-0000900000-0f345764121d86ea30df Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014j-0000900000-4a679b6254c7893c8374 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03e9-0000900000-9020ff1481deb6f37486 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0avj-0000900000-2933c94d07eba8e94a6d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01q9-0001900000-1586ce4e1d333d254a50 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0009500000-f49b449b5a295a8ef910 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 196.20204 predictedDeepCCS 1.0 (2019) [M+H]+ 198.59761 predictedDeepCCS 1.0 (2019) [M+Na]+ 204.51013 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:10 / Updated at June 12, 2020 16:53