palovarotene   Click here for help

GtoPdb Ligand ID: 8276

Synonyms: Clementia® (proposed trade name) | R-667 | Ro-3300074
Compound class: Synthetic organic
Comment: Palovarotene is a retinoic acid receptor gamma (RAR-γ) agonist. This compound was originally investegated for its ability to repair alveolar damage in emphysema [1,3], but has subsequently been repurposed as a potential treatment for fibrodysplasia ossificans progressiva (FOP).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 55.12
Molecular weight 414.23
XLogP 7.85
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccc(cc1)C=Cc1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C
Isomeric SMILES OC(=O)c1ccc(cc1)/C=C/c1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C
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+
InChI Key YTFHCXIPDIHOIA-DHZHZOJOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
International Nonproprietary Names Click here for help
INN number INN
9025 palovarotene
Synonyms Click here for help
Clementia® (proposed trade name) | R-667 | Ro-3300074
Database Links Click here for help
GtoPdb PubChem SID 252166488
PubChem CID 10295295
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