Beloranib

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
Beloranib
Accession Number
DB12671
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
CKD-732 / ZGN-433 / ZGN-440
Categories
UNII
FI471K8BU6
CAS number
251111-30-5
Weight
Average: 499.648
Monoisotopic: 499.293388044
Chemical Formula
C29H41NO6
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

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
6918502
PubChem Substance
347828875
ChemSpider
5293699
BindingDB
148430
Wikipedia
Beloranib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBMI >30 kg/m23
2CompletedTreatmentBMI >30 kg/m21
2CompletedTreatmentBMI >30 kg/m2 / Hypothalamic Injury / Over-weight / Postsurgical craniopharyngioma1
2CompletedTreatmentBMI >30 kg/m2 / Over-weight / Prader-Willi Syndrome1
2TerminatedTreatmentBMI >30 kg/m2 / Type 2 Diabetes Mellitus1
3TerminatedTreatmentBMI >30 kg/m2 / Prader-Willi 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 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/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 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
Cinnamic acid ester / Phenoxy compound / Phenol ether / Styrene / Alkyl aryl ether / Fatty acid ester / Monocyclic benzene moiety / Benzenoid / Fatty acyl / Alpha,beta-unsaturated carboxylic ester
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:33 / Updated on June 04, 2019 07:41