IMB-808   Click here for help

GtoPdb Ligand ID: 10034

Compound class: Synthetic organic
Comment: IMB-808 is a liver X receptor partial agonist that shows anti-atherosclerotic potential [1-2]. It exhibits dual LXRα/β agonism but is devoid of the common lipogenic side effects of LXR full agonists [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 6
Topological polar surface area 67.87
Molecular weight 380.1
XLogP 2.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1ccc(c(c1F)F)F)CN(C(=O)c1ccc2c(c1)OCCO2)C
Isomeric SMILES O=C(Nc1ccc(c(c1F)F)F)CN(C(=O)c1ccc2c(c1)OCCO2)C
InChI InChI=1S/C18H15F3N2O4/c1-23(9-15(24)22-12-4-3-11(19)16(20)17(12)21)18(25)10-2-5-13-14(8-10)27-7-6-26-13/h2-5,8H,6-7,9H2,1H3,(H,22,24)
InChI Key XITZPIXICJOKTF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-methyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
Database Links Click here for help
ChEMBL Ligand CHEMBL1316881
GtoPdb PubChem SID 375973222
PubChem CID 8001903
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