compound 17l [PMID: 26288691]   Click here for help

GtoPdb Ligand ID: 10035

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Compound 17l is a liver X receptor antagonist [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 55.84
Molecular weight 385.13
XLogP 4.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1ccc(cc1OC)C=Cc1ccccc1N1C(=O)c2c(C1=O)cccc2
Isomeric SMILES COc1ccc(cc1OC)/C=C/c1ccccc1N1C(=O)c2c(C1=O)cccc2
InChI InChI=1S/C24H19NO4/c1-28-21-14-12-16(15-22(21)29-2)11-13-17-7-3-6-10-20(17)25-23(26)18-8-4-5-9-19(18)24(25)27/h3-15H,1-2H3/b13-11+
InChI Key MKFOSSOUEAENMG-ACCUITESSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
Database Links Click here for help
ChEMBL Ligand CHEMBL3623107
GtoPdb PubChem SID 375973223
PubChem CID 122192273
Search Google for chemical match using the InChIKey MKFOSSOUEAENMG-ACCUITESSA-N
Search Google for chemicals with the same backbone MKFOSSOUEAENMG
Search UniChem for chemical match using the InChIKey MKFOSSOUEAENMG-ACCUITESSA-N
Search UniChem for chemicals with the same backbone MKFOSSOUEAENMG