SR11237   Click here for help

GtoPdb Ligand ID: 2809

Synonyms: BMS 649  | SR-11237
Compound class: Synthetic organic
Comment: SR11237 is a pan retinoid X receptor (RXR) agonist that is devoid of any retinoic acid receptor (RAR) activity [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 55.76
Molecular weight 380.2
XLogP 6.04
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccc(cc1)C1(OCCO1)c1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric SMILES OC(=O)c1ccc(cc1)C1(OCCO1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChI InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
InChI Key ZZUKALQMHNSWTK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid
Synonyms Click here for help
BMS 649  | SR-11237
Database Links Click here for help
BindingDB Ligand 50033077
CAS Registry No. 146670-40-8 (source: Scifinder)
ChEMBL Ligand CHEMBL112715
GtoPdb PubChem SID 135651069
PubChem CID 127019
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Tocris
SR 11237
Cat. No. 3411