HX 531

Ligand id: 8079

Name: HX 531

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 96.04
Molecular weight 483.22
XLogP 9.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
Synonyms
HX-531 | HX531
Database Links
CAS Registry No. 188844-34-0 (source: Scifinder)
ChEMBL Ligand CHEMBL326525
PubChem CID 11755040
Search Google for chemical match using the InChIKey SXKPGYKPQPYJER-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SXKPGYKPQPYJER
Search UniChem for chemical match using the InChIKey SXKPGYKPQPYJER-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SXKPGYKPQPYJER
Comments
HX 531 is an antagonist of retinoid X receptors [1-2]. Antagonism is generally assessed as the ability of HX 531 to inhibit agonist-induced transactivation of the retinoid X receptors.