NAV

Alobresib

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

Identification

Generic Name
Alobresib
DrugBank Accession Number
DB14970
Background

Alobresib is under investigation in clinical trial NCT02607228 (Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of GS-5829 as a Single Agent and In Combination With Enzalutamide in Participants With Metastatic Castrate-Resistant Prostate Cancer).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 437.503
Monoisotopic: 437.185175001
Chemical Formula
C26H23N5O2
Synonyms
  • Alobresib
External IDs
  • GS-5829
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3QBL0BLP3D
CAS number
1637771-14-2
InChI Key
CMSUJGUHYXQSOK-UHFFFAOYSA-N
InChI
InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)
IUPAC Name
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-1,3-benzodiazol-4-yl]bis(pyridin-2-yl)methanol
SMILES
CC1=C(C(C)=NO1)C1=CC(=C2N=C(NC2=C1)C1CC1)C(O)(C1=CC=CC=N1)C1=NC=CC=C1

References

General References
Not Available
ChemSpider
64835229
BindingDB
249306
ChEMBL
CHEMBL3982690

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentSolid Tumors and Lymphomas1
1, 2TerminatedTreatmentAdvanced Estrogen Receptor Positive HER2- Breast Cancer1
1, 2TerminatedTreatmentMetastatic Castration-Resistant Prostate Cancer (mCRPC)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
PropertyValueSource
Water Solubility0.0778 mg/mLALOGPS
logP3.84ALOGPS
logP3.51Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)11.3Chemaxon
pKa (Strongest Basic)5.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area100.72 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity125.32 m3·mol-1Chemaxon
Polarizability47.35 Å3Chemaxon
Number of Rings6Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-df8ba0418cd4f7f5e3b0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-0001900000-3367cd55ecbd60d7f6ed
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dr-0001900000-6fba3439537bf044fe5d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fbi-0029700000-f4189f0242e9b1f80141
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ug0-0039500000-71308cba168bc4d18122
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-0492100000-c946f16bf242aeb07c4a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:38 / Updated at February 21, 2021 18:55