UVI3003   Click here for help

GtoPdb Ligand ID: 2816

Synonyms: compound 10e [PMID: 19408900] | UVI 3003
Compound class: Synthetic organic
Comment: UVI 3003 is a retinoid X receptor (RXR) antagonist [2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 66.76
Molecular weight 436.26
XLogP 8.57
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCOc1cc2c(cc1c1cc(C=CC(=O)O)ccc1O)C(C)(C)CCC2(C)C
Isomeric SMILES CCCCCOc1cc2c(cc1c1cc(/C=C/C(=O)O)ccc1O)C(C)(C)CCC2(C)C
InChI InChI=1S/C28H36O4/c1-6-7-8-15-32-25-18-23-22(27(2,3)13-14-28(23,4)5)17-21(25)20-16-19(9-11-24(20)29)10-12-26(30)31/h9-12,16-18,29H,6-8,13-15H2,1-5H3,(H,30,31)/b12-10+
InChI Key APJSHECCIRQQDV-ZRDIBKRKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2E)-3-{4-hydroxy-3-[5,5,8,8-tetramethyl-3-(pentyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl}prop-2-enoic acid
Synonyms Click here for help
compound 10e [PMID: 19408900] | UVI 3003
Database Links Click here for help
CAS Registry No. 847239-17-2 (source: Scifinder)
ChEMBL Ligand CHEMBL521955
GtoPdb PubChem SID 135651303
PubChem CID 44566108
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Tocris
UVI 3003
Cat. No. 3303