palovarotene (CHEBI:188559)

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CHEBI:188559 - palovarotene

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ChEBI ID	CHEBI:188559
ChEBI Name	palovarotene
Stars
Definition	An olefinic compound that is ethene is which a hydrogen at position 1 is replaced by a 4-carboxyphenyl group and a hydrogen at position 2 is replaced by a 5,5,8,8-tetramethyl-3-[(1H-pyrazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl group (the E-stereoisomer). It is a selective retinoic acid receptor γ (RARγ) agonist developed by Ipsen, to reduce the formation of new heterotopic ossification in adults and children with fibrodysplasia ossificans progressiva (FOP), a rare bone disorder.
Last Modified	16 April 2024
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H30N2O2
Net Charge	0
Average Mass	414.549
Monoisotopic Mass	414.23073
SMILES	CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
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+
InChIKey	YTFHCXIPDIHOIA-DHZHZOJOSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
Phyllostachys violascens (ncbitaxon:1903417)	stem (BTO:0001300)	MetaboLights (MTBLS3970)	Strain: Phyllostachys violascens cv. Viridisulcata

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	retinoic acid receptor gamma agonist Any retinoic acid receptor (RAR) agonist with specificity for RARγ.
Applications:	ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. retinoic acid receptor gamma agonist Any retinoic acid receptor (RAR) agonist with specificity for RARγ.

ChEBI Ontology

Outgoing Relation(s)
	palovarotene (CHEBI:188559) has role ophthalmology drug (CHEBI:66981)
	palovarotene (CHEBI:188559) has role retinoic acid receptor γ agonist (CHEBI:88336)
	palovarotene (CHEBI:188559) is a benzoic acids (CHEBI:22723)
	palovarotene (CHEBI:188559) is a olefinic compound (CHEBI:78840)
	palovarotene (CHEBI:188559) is a pyrazoles (CHEBI:26410)
	palovarotene (CHEBI:188559) is a stilbenoid (CHEBI:26776)
	palovarotene (CHEBI:188559) is a tetralins (CHEBI:36786)

IUPAC Name
4-{(E)-2-[5,5,8,8-tetramethyl-3-(1H-pyrazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]ethenyl}benzoic acid

INNs	Source
palovarotene	WHO MedNet
palovaroténe	WHO MedNet
palovaroteno	WHO MedNet
palovarotenum	WHO MedNet

Synonyms	Source
CLM 001	ChEBI
CLM-001	DrugCentral
IPN-60120	ChEMBL
IPN60120	ChEMBL
R-667	DrugBank
R667	DrugBank

Brand Name	Source
Sohonos	KEGG DRUG

Manual Xrefs	Databases
8470763	ChemSpider
D09365	KEGG DRUG
DB05467	DrugBank
LSM-45512	LINCS
Palovarotene	Wikipedia

Registry Numbers	Sources
CAS:410528-02-8	KEGG DRUG

Citations