AUY922

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

Identification

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Name
AUY922
Accession Number
DB11881
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
AUY 922 / AUY-922
Categories
UNII
G1G66XE93W
CAS number
747412-64-2
Weight
Average: 479.577
Monoisotopic: 479.242021175
Chemical Formula
C27H33N3O5
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

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
10480258
PubChem Substance
347828218
ChemSpider
23310246
BindingDB
20924
ChEMBL
CHEMBL399583
Wikipedia
Luminespib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentNon-Small Cell Lung Cancer Recurrent / Squamous Cell Carcinoma of Lung / Stage IV Non-Small Cell Lung Cancer1
1CompletedTreatmentAdenocarcinoma of the Colon / Adenocarcinoma of the Rectum / Metastatic Colon Cancer / Recurrent Colon Cancer / Recurrent Rectal Cancer / Stage IV Rectal Cancer1
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentAnaplastic Lymphoma Kinase (ALK) / Lung Cancer Non-Small Cell Cancer (NSCLC)1
1CompletedTreatmentStomach Neoplasms Esophageal Neoplasms Metastatic Gastric Cancer Mutated PI3KCA Protein Overexpressed HER2 Protein / Stomach Neoplasms; Esophageal Neoplasms; Metastatic Gastric Cancer; Mutated PI3KCA Protein; Overexpressed HER2 Protein1
1TerminatedTreatmentUnspecified Adult Solid Tumor, Protocol Specific1
1, 2CompletedTreatmentAdenocarcinoma of the Lung / Lung Cancer Non-Small Cell Cancer (NSCLC)1
1, 2CompletedTreatmentCancer, Breast / Neoplasms, Hematologic1
1, 2CompletedTreatmentRelapsed Or Refractory Multiple Myeloma1
1, 2WithdrawnTreatmentCancer, Breast / ER Positive Breast Cancer / HER-2 Positive Breast Cancer / Metastatic Breast Cancer (MBC)1
2Active Not RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2CompletedTreatmentAdvanced Gastric Cancer / Gastro-esophageal Junction Cancer1
2CompletedTreatmentAdvanced HER2-positive Breast Cancer1
2CompletedTreatmentAdvanced Non Small Cell Lung Cancer (NSCLC)1
2CompletedTreatmentGastrointestinal Stromal Tumors1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)3
2RecruitingTreatmentGastrointestinal Stromal Tumors1
2TerminatedTreatmentAdenocarcinoma of the Pancreas / Metastatic Disease1
2TerminatedTreatmentAdvanced Gastric Cancer1
2TerminatedTreatmentMalignant Lymphomas1
2TerminatedTreatmentMyeloproliferative Neoplasms1

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

Taxonomy

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
Phenylpropane / 2-heteroaryl carboxamide / Phenylmethylamine / Benzylamine / Resorcinol / 1-hydroxy-2-unsubstituted benzenoid / Phenol / Aralkylamine / Oxazinane / Morpholine
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:57 / Updated on May 01, 2019 11:18