NAV

Beloranib

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

Identification

Generic Name
Beloranib
DrugBank Accession Number
DB12671
Background

Beloranib has been used in trials studying the treatment of Obesity, Over-weight, Type 2 Diabetes, Craniopharyngioma, and Hypothalamic Injury, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 499.648
Monoisotopic: 499.293388044
Chemical Formula
C29H41NO6
Synonyms
  • Beloranib
External IDs
  • CKD-732
  • ZGN-433
  • ZGN-440
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
Alendronic acidThe risk or severity of jaw osteonecrosis and anti-angiogenesis can be increased when Beloranib is combined with Alendronic acid.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Beloranib is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Beloranib is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Beloranib is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Beloranib is combined with Benzyl alcohol.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Sub Class
Cinnamic acid esters
Direct Parent
Cinnamic acid esters
Alternative Parents
Styrenes / Phenoxy compounds / Phenol ethers / Fatty acid esters / Alkyl aryl ethers / Enoate esters / Trialkylamines / Amino acids and derivatives / Oxacyclic compounds / Monocarboxylic acids and derivatives
show 5 more
Substituents
Alkyl aryl ether / Alpha,beta-unsaturated carboxylic ester / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cinnamic acid ester
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
FI471K8BU6
CAS number
251111-30-5
InChI Key
ZEZFKUBILQRZCK-MJSCXXSSSA-N
InChI
InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10+/t23-,24-,26-,27-,28+,29+/m1/s1
IUPAC Name
(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl (2E)-3-{4-[2-(dimethylamino)ethoxy]phenyl}prop-2-enoate
SMILES
CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C1=CC=C(OCCN(C)C)C=C1

References

General References
Not Available
PubChem Compound
6918502
PubChem Substance
347828875
ChemSpider
5293699
BindingDB
148430
ZINC
ZINC000003982162
Wikipedia
Beloranib

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentObesity / Prader-Willi Syndrome1
2CompletedTreatmentCraniopharyngioma / Hypothalamic disorder / Obesity / Overweight1
2CompletedTreatmentObesity1
2CompletedTreatmentObesity / Overweight / Prader-Willi Syndrome1
2TerminatedTreatmentObesity / Type 2 Diabetes Mellitus1

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 Solubility0.00264 mg/mLALOGPS
logP4.15ALOGPS
logP4.5Chemaxon
logS-5.3ALOGPS
pKa (Strongest Basic)8.77Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area73.06 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity140.35 m3·mol-1Chemaxon
Polarizability57.66 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/MSsplash10-0udi-5040690000-e6e54bb9d2cb3c1f1895
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01pk-1970700000-e326a8fb9375ce39d558
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fk9-9310630000-a3f9f105a090bdc8df23
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-5793500000-d2e456ecdd559c248ad3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9201100000-f319ab9da95f80fce4e1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0904300000-528ed4dc3372e33df161
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]-241.0125341
predicted
DarkChem Lite v0.1.0
[M-H]-220.25615
predicted
DeepCCS 1.0 (2019)
[M+H]+242.1917341
predicted
DarkChem Lite v0.1.0
[M+H]+222.15157
predicted
DeepCCS 1.0 (2019)
[M+Na]+242.4312341
predicted
DarkChem Lite v0.1.0
[M+Na]+227.91646
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:33 / Updated at February 21, 2021 18:53