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

Identification

Generic Name
AUY922
DrugBank Accession Number
DB11881
Background

AUY922 has been used in trials studying the treatment of Lymphoma, Breast Cancer, Metastatic Disease, Advanced Solid Tumors, and Hematologic Neoplasms, among others.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 479.577
Monoisotopic: 479.242021175
Chemical Formula
C27H33N3O5
Synonyms
Not Available
External IDs
  • AUY 922
  • AUY-922

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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 phenylpropanes. These are organic compounds containing a phenylpropane moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylpropanes
Direct Parent
Phenylpropanes
Alternative Parents
Resorcinols / Phenylmethylamines / 2-heteroaryl carboxamides / Benzylamines / 1-hydroxy-2-unsubstituted benzenoids / Aralkylamines / Morpholines / Isoxazoles / Heteroaromatic compounds / Trialkylamines
show 8 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / 2-heteroaryl carboxamide / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Azole / Benzylamine / Carboxamide group
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
G1G66XE93W
CAS number
747412-64-2
InChI Key
WLYWTGDTMWWNNG-UHFFFAOYSA-N
InChI
InChI=1S/C27H33N3O5/c1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31/h6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33)
IUPAC Name
5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(morpholin-4-yl)methyl]phenyl}-1,2-oxazole-3-carboxamide
SMILES
CCNC(=O)C1=NOC(=C1C1=CC=C(CN2CCOCC2)C=C1)C1=CC(=C(O)C=C1O)C(C)(C)C

References

General References
Not Available
PubChem Compound
10480258
PubChem Substance
347828218
ChemSpider
23310246
BindingDB
20924
ChEMBL
CHEMBL399583
ZINC
ZINC000014974925
Wikipedia
Luminespib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAdvanced Gastric Cancer / Gastroesophageal Junction Cancer1
2CompletedTreatmentGastrointestinal Stromal Tumor (GIST)1
2CompletedTreatmentNon-Small Cell Lung Carcinoma (NSCLC)4
2TerminatedTreatmentAdenocarcinomas of the Pancreas / Metastatic Disease1
2TerminatedTreatmentAdvanced Gastric Cancer1
2TerminatedTreatmentAdvanced Non Small Cell Lung Cancer (NSCLC)1
2TerminatedTreatmentMalignant Lymphomas1
2TerminatedTreatmentMyeloproliferative Neoplasms (MPNs)1
2Unknown StatusTreatmentGastrointestinal Stromal Tumor (GIST)1
1CompletedTreatmentAdenocarcinoma of the Colon / Adenocarcinoma of the Rectum / Metastatic Colon Cancer / Recurrent Colon Cancer / Recurrent Rectal Cancer / Stage IV Rectal Cancer1

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 Solubility0.0658 mg/mLALOGPS
logP4.31ALOGPS
logP3.86ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)8.5ChemAxon
pKa (Strongest Basic)7.05ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area108.06 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity136.25 m3·mol-1ChemAxon
Polarizability52.65 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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

Drug created at October 20, 2016 20:57 / Updated at June 12, 2020 16:53