RJW100   Click here for help

GtoPdb Ligand ID: 10484

Synonyms: 24-exo [2]
Compound class: Synthetic organic
Comment: RJW100 is a small-molecule synthetic agonist of the orphan nuclear receptors, liver receptor homolog 1 (hLRH-1; NR5A2) and steroidogenic factor-1 (SF-1; NR5A1) [2]. It has good solubility and stability and is suitable as an experimental tool compound.
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 1
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 20.23
Molecular weight 386.26
XLogP 8.44
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCCC1=C(c2ccccc2)C2(C(C1)C(O)CC2)C(=C)c1ccccc1
Isomeric SMILES CCCCCCC1=C(c2ccccc2)[C@]2(C(C1)[C@H](O)CC2)C(=C)c1ccccc1
InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25?,26-,28+/m1/s1
InChI Key ZFXMYHPLTQTTFW-XZSHQJGLSA-N
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Steroidogenic factor 1 Hs Agonist Agonist 7.5 pEC50 - 2
pEC50 7.5 (EC50 3.16x10-8 M) [2]
Description: Binding affinity measured using a fluorescence resonance energy transfer (FRET)-based peptide recruitment assay.
Liver receptor homolog-1 Hs Agonist Agonist 5.8 – 6.6 pEC50 - 1-2
pEC50 6.6 (EC50 2.51x10-7 M) [2]
Description: Binding affinity measured using a fluorescence resonance energy transfer (FRET)-based peptide recruitment assay.
pEC50 5.8 (EC50 1.5x10-6 M) [1]
Description: Measuring LRH-1-mediated transcriptional activation in a luciferase reporter assay.