APR-246

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
APR-246
Accession Number
DB11684
Type
Small Molecule
Groups
Investigational
Description

APR-246 has been used in trials studying the treatment of Prostatic Neoplasms, Hematologic Neoplasms, and Platinum Sensitive Recurrent High-grade Serous Ovarian Cancer With Mutated p53.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
Z41TGB4080
CAS number
5291-32-7
Weight
Average: 199.25
Monoisotopic: 199.120843411
Chemical Formula
C10H17NO3
InChI Key
BGBNULCRKBVAKL-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3
IUPAC Name
2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
SMILES
COCC1(CO)N2CCC(CC2)C1=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
52918385
PubChem Substance
347828051
ChemSpider
24606048
ChEMBL
CHEMBL3186011

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentNeoplasms, Hematologic / Prostatic Neoplasms1
1RecruitingTreatmentMyeloid Malignancy1
1, 2Active Not RecruitingTreatmentAcute Myeloid Leukemia With Gene Mutations / Chronic Myelomonocytic Leukemia / Myelodysplastic Syndrome With Gene Mutation / Myeloproliferative Neoplasms1
1, 2Active Not RecruitingTreatmentChronic Myelomonocytic Leukemia / Leukemia Acute Myeloid Leukemia (AML) / Myelodysplastic Syndrome / Myeloproliferative Neoplasms1
1, 2CompletedTreatmentPlatinum Sensitive Recurrent High-grade Serous Ovarian Cancer With Mutated p531
1, 2SuspendedTreatmentEsophageal Carcinoma1
1, 2TerminatedTreatmentMelanoma1
2CompletedTreatmentHigh-grade Serous Ovarian Cancer1
2RecruitingTreatmentAcute Myeloid Leukemia or Myelodysplastic Syndromes1
3RecruitingTreatmentSmith-Magenis Syndrome1

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 Solubility499.0 mg/mLALOGPS
logP-0.17ALOGPS
logP-0.15ChemAxon
logS0.4ALOGPS
pKa (Strongest Acidic)14.54ChemAxon
pKa (Strongest Basic)6.9ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area49.77 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity52.41 m3·mol-1ChemAxon
Polarizability21.02 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 quinuclidones. These are compounds containing a quinuclidine moiety which bears a ketone group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinuclidines
Sub Class
Quinuclidones
Direct Parent
Quinuclidones
Alternative Parents
Piperidinones / Trialkylamines / Ketones / Dialkyl ethers / Azacyclic compounds / Primary alcohols / Organic oxides / Hydrocarbon derivatives
Substituents
Quinuclidone / Piperidinone / Piperidine / Ketone / Tertiary amine / Tertiary aliphatic amine / Dialkyl ether / Ether / Azacycle / Organic oxide
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:39 / Updated on February 06, 2020 13:12