CHEBI:188559 - palovarotene

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ChEBI Name palovarotene ChEBI ID CHEBI:188559 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C27H30N2O2 Net Charge 0 Average Mass 414.549 Monoisotopic Mass 414.23073 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 SMILES CC1(C)CCC(C)(C)C2=C1C=C(CN1C=CC=N1)C(\C=C\C1=CC=C(C=C1)C(O)=O)=C2 Metabolite of Species Details Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): retinoic acid receptor gamma agonist Any retinoic acid receptor (RAR) agonist with specificity for RARgamma. Application(s): retinoic acid receptor gamma agonist Any retinoic acid receptor (RAR) agonist with specificity for RARgamma. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources palovaroténe WHO MedNet palovarotene WHO MedNet palovaroteno WHO MedNet palovarotenum WHO MedNet Synonyms Sources CLM 001 ChEBI CLM-001 DrugCentral R-667 DrugBank R667 DrugBank RG-667 DrugBank RO 3300074 ChEBI RO-3300074 DrugCentral RO3300074 DrugBank Brand Name Source Sohonos KEGG DRUG Manual Xrefs Databases 8470763 ChemSpider D09365 KEGG DRUG DB05467 DrugBank LSM-45512 LINCS Palovarotene Wikipedia View more database links Registry Number Type Source 410528-02-8 CAS Registry Number KEGG DRUG Citations Types Sources 17324249 PubMed citation Europe PMC 19876792 PubMed citation Europe PMC 26896819 PubMed citation Europe PMC 28960501 PubMed citation Europe PMC 29120519 PubMed citation Europe PMC 30226468 PubMed citation Europe PMC 30698142 PubMed citation Europe PMC 32245464 PubMed citation Europe PMC 34383202 PubMed citation Europe PMC 34831466 PubMed citation Europe PMC 35384641 PubMed citation Europe PMC 35530413 PubMed citation Europe PMC 35638441 PubMed citation Europe PMC 35646981 PubMed citation Europe PMC 35802768 PubMed citation Europe PMC 35854638 PubMed citation Europe PMC 36052494 PubMed citation Europe PMC 36542308 PubMed citation Europe PMC 36583535 PubMed citation Europe PMC 36802022 PubMed citation Europe PMC 37643264 PubMed citation Europe PMC 37796111 PubMed citation Europe PMC 37804430 PubMed citation Europe PMC 37934835 PubMed citation Europe PMC 37957586 PubMed citation Europe PMC 38130748 PubMed citation Europe PMC PMC7208379 PubMed Central citation Europe PMC PMC9624757 PubMed Central citation Europe PMC Last Modified 16 April 2024