LXR-623

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Synonyms
Status
Molecule Category Free-form
UNII 4W82FEU838

Structure

InChI Key KYWWJENKIMRJBI-UHFFFAOYSA-N
Smiles Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1
InChI
InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H12ClF5N2
Molecular Weight 422.78
AlogP 6.7
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 17.82
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
LXR-alpha agonist AGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H Nuclear hormone receptor subfamily 1 group H member 3
0.212-900 24-179 - 14.2-14.2 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 1
0.212-0.431 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.212-900 24-179 - 14.2-14.2 -

Target Conservation

Protein: LXR-alpha
Description: Oxysterols receptor LXR-alpha
Organism : Homo sapiens
Q13133 ENSG00000025434

Cross References

Resources Reference
ChEMBL CHEMBL456237
FDA SRS 4W82FEU838
SureChEMBL SCHEMBL1407261
ZINC ZINC000040379749
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