HT1042

Ligand id: 8649

Name: HT1042

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 94.74
Molecular weight 223.99
XLogP 2.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(3-nitrophenyl)-1,3,4-oxathiazol-2-one
Database Links
CAS Registry No. 23589-77-7 (source: PubChem)
ChEMBL Ligand CHEMBL3265177
PubChem CID 325597
Search Google for chemical match using the InChIKey QBAZATRGWRVUFN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QBAZATRGWRVUFN
Search UniChem for chemical match using the InChIKey QBAZATRGWRVUFN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QBAZATRGWRVUFN
Comments
HT1042 is reported to inhibit the β5i component of the 20S proteasome complex [1], which is constitutively expressed in dendritic cells and lymphocytes, and is induced in other cells by some cytokines to modulate antigen presentation [2]. Inhibitors selective for this immune system-associated 20S proteasome complex are expected to provide novel and more selective anti-inflammatory leads, compared to the current broad-spectrum proteasome inhibitor bortezomib used in the clinic.