resatorvid

Ligand id: 9036

Name: resatorvid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 80.85
Molecular weight 361.06
XLogP 2.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
International Nonproprietary Names
INN number INN
8785 resatorvid
Synonyms
TAK-242 | TAK242
Database Links
ChEMBL Ligand CHEMBL225157
PubChem CID 11703255
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Comments
Resatorvid (TAK242) was first identified as an inhibitor of inflammatory mediator production in LPS treated mouse macrophages [2]. Subsequent work found that this action was attributable to the compound's activity as a Toll-like receptor 4 (TLR4) antagonist [1].