NAV

Eprenetapopt

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

Identification

Generic Name
Eprenetapopt
DrugBank Accession Number
DB11684
Background

Eprenetapopt 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.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 199.25
Monoisotopic: 199.120843411
Chemical Formula
C10H17NO3
Synonyms
  • 1-Azabicyclo(2.2.2)octan-3-one, 2-(hydroxymethyl)-2-(methoxymethyl)-
  • 2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
  • 2-hydroxymethyl-2-methoxymethyl-1-azabicyclo[2,2,2]octan-3-one
  • 3-QUINUCLIDINONE, 2-(HYDROXYMETHYL)-2-(METHOXYMETHYL)-
External IDs
  • APR-246
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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
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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
Not Available
Chemical TaxonomyProvided by Classyfire
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
Alcohol / Aliphatic heteropolycyclic compound / Amine / Azacycle / Carbonyl group / Dialkyl ether / Ether / Hydrocarbon derivative / Ketone / Organic nitrogen compound
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Z41TGB4080
CAS number
5291-32-7
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

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentMyelodysplastic Syndrome1
2CompletedTreatmentAcute Myeloid Leukemia or Myelodysplastic Syndromes1
2CompletedTreatmentHigh-grade Serous Ovarian Carcinoma (HGSOC)1
2WithdrawnTreatmentRecurrent Mantle Cell Lymphoma / Refractory Mantle Cell Lymphoma1
1CompletedTreatmentMyeloid Malignancies1

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-MSsplash10-0002-9600000000-45a4ac3a538f7ef780c6
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0190000000-59236b12d8e705752f85
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ul0-0940000000-40ad8e9c41b0c40cf82d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-0609b238bfa9324cae5c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uk9-0900000000-5aa74e6a41fec7bbe914
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-fb0316f6ce5a197d5044
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0900000000-14974eea5e8eebe09e4d
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]-141.5325
predicted
DeepCCS 1.0 (2019)
[M+H]+145.35985
predicted
DeepCCS 1.0 (2019)
[M+Na]+154.38364
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:39 / Updated at July 18, 2023 22:56