Palovarotene (CED0012665)

Record Information

Version

1.0

Creation Date

2026-04-05 13:24:58 UTC

Update Date

2026-08-22 07:27:44 UTC

Accession Number

CHEM102769

Identification

Common Name

Palovarotene

Class

Small Molecule

Description

Palovarotene is an organic compound with the formula C27H30N2O2 and an average molecular weight of 414.55 g/mol. Palovarotene belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. It acts as an agonist of the protein target Retinoic acid receptor gamma (RARG). This compound is found in healthcare, pharmaceuticals, and veterinary products, specifically as a drug for disorders of the musculo-skeletal system. The recorded route of exposure for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
RG-667PALOVAROTENE	ChEMBL
RO3300074	ChEMBL
CLM-001R03300074	ChEMBL
4-(2-{5,5,8,8-tetramethyl-3-[(1H-pyrazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl}ethenyl)benzoate	Generator

Chemical Formula

C₂₇H₃₀N₂O₂

Average Molecular Mass

414.549 g/mol

Monoisotopic Mass

414.231 g/mol

CAS Registry Number

410528-02-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1(C)CCC(C)(C)C2=C1C=C(CN1C=CC=N1)C(\C=C\C1=CC=C(C=C1)C(O)=O)=C2

InChI Identifier

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+

InChI Key

YTFHCXIPDIHOIA-DHZHZOJOSA-N

Chemical Taxonomy

Description

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

Substituents

Stilbene
Tetralin
Benzoic acid or derivatives
Benzoic acid
Benzoyl
Styrene
Benzenoid
Monocyclic benzene moiety
Azole
Pyrazole
Heteroaromatic compound
Organoheterocyclic compound
Carboxylic acid
Carboxylic acid derivative
Azacycle
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014j-0019400000-4e7648bd41962f5e1c89	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002g-3019000000-dc1e525be515ca763987	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-2159000000-3ce8d144981ef36cfd7a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03xr-6006900000-7e629a2ea35056bfeafa	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kf-9007200000-f4968a1718728451097c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9001000000-07f1b1a4fe14d9395cbf	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
433.0	Log mg/kg	[240:770]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
368	Drugs for disorders of the musculo-skeletal system	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathway

Palovarotene Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	9.34191
Click to view 3D structure	Retinoic acid receptor gamma	P13631	Humans	Predicted (SEA)	6.30579
Click to view 3D structure	Retinoic acid receptor beta	P10826	Humans	Predicted (SEA)	3.65891
Click to view 3D structure	Retinoic acid receptor alpha	P10276	Humans	Predicted (SEA)	7.16213
Click to view 3D structure	Retinoic acid receptor RXR-beta	P28702	Humans	Predicted (SEA)	2.88042
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P48443	Humans	Predicted (SEA)	2.72472
Click to view 3D structure	Cytochrome P450 26A1	O43174	Humans	Predicted (SEA)	2.41333
Click to view 3D structure	Cellular retinoic acid-binding protein 2	P29373	Humans	Predicted (SEA)	2.02408
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P28705	Mus musculus	Predicted (SEA)	2.25763
Click to view 3D structure	Retinoic acid receptor RXR-beta	P28704	Mus musculus	Predicted (SEA)	2.25763
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P28700	Mus musculus	Predicted (SEA)	2.10193
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	339.968
Click to view 3D structure	Cytochrome P450 26B1	Q9NR63	Humans	Predicted (SEA)	2.02408
Click to view 3D structure	Retinoic acid receptor alpha	P11416	Mus musculus	Predicted (SEA)	2.49118
Click to view 3D structure	Retinoic acid receptor beta	P22605	Mus musculus	Predicted (SEA)	2.49118
Click to view 3D structure	Retinoic acid receptor gamma	P18911	Mus musculus	Predicted (SEA)	2.56902
Click to view 3D structure	Hepatocyte nuclear factor 4-alpha	P22449	Rattus norvegicus	Predicted (SEA)	1.94623
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	1001.37
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	990.553
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	105.797
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	253.088
Click to view 3D structure	Cyclin-O	P22674	Humans	Predicted (SEA)	1.16774
Click to view 3D structure	Hepatocyte nuclear factor 4-alpha	P41235	Humans	Predicted (SEA)	26.7023
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	100.659
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P08587	Cavia cutleri	Predicted (SEA)	18.2167