Palovarotene

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

Identification

Name
Palovarotene
Accession Number
DB12320
Type
Small Molecule
Groups
Investigational
Description

Palovarotene has been used in trials studying the treatment of Fibrodysplasia Ossificans Progressiva.

Structure
Thumb
Synonyms
Not Available
External IDs
RO3300074
Categories
UNII
28K6I5M16G
CAS number
410528-02-8
Weight
Average: 414.549
Monoisotopic: 414.230728214
Chemical Formula
C27H30N2O2
InChI Key
YTFHCXIPDIHOIA-DHZHZOJOSA-N
InChI
InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+
IUPAC Name
4-[(E)-2-{5,5,8,8-tetramethyl-3-[(1H-pyrazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl}ethenyl]benzoic acid
SMILES
CC1(C)CCC(C)(C)C2=C1C=C(CN1C=CC=N1)C(\C=C\C1=CC=C(C=C1)C(O)=O)=C2

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
10295295
PubChem Substance
347828583
ChemSpider
8470763
ChEMBL
CHEMBL2105648
ZINC
ZINC000038467831
Wikipedia
Palovarotene

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentExostoses, Multiple Hereditary1
2Active Not RecruitingTreatmentFibrodysplasia Ossificans Progressiva (FOP)2
2CompletedTreatmentFibrodysplasia Ossificans Progressiva (FOP)1
2TerminatedTreatmentFibrodysplasia Ossificans Progressiva (FOP)1
3Active Not RecruitingTreatmentFibrodysplasia Ossificans Progressiva (FOP)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 Solubility0.000344 mg/mLALOGPS
logP6.94ALOGPS
logP6.61ChemAxon
logS-6.1ALOGPS
pKa (Strongest Acidic)4.13ChemAxon
pKa (Strongest Basic)2.44ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area55.12 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity137.81 m3·mol-1ChemAxon
Polarizability47.96 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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/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 stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Stilbenes
Sub Class
Not Available
Direct Parent
Stilbenes
Alternative Parents
Tetralins / Benzoic acids / Styrenes / Benzoyl derivatives / Pyrazoles / Heteroaromatic compounds / Carboxylic acids / Azacyclic compounds / Organooxygen compounds / Organonitrogen compounds
show 2 more
Substituents
Stilbene / Tetralin / Benzoic acid or derivatives / Benzoic acid / Benzoyl / Styrene / Benzenoid / Monocyclic benzene moiety / Azole / Pyrazole
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:57 / Updated on June 12, 2020 10:53

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