amiselimod phosphate

Ligand id: 9491

Name: amiselimod phosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 132.05
Molecular weight 457.18
XLogP 3.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug amiselimod
IUPAC Name
[(2R)-2-amino-4-[4-heptoxy-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate
Synonyms
amiselimod-P
Database Links
PubChem CID 57704582
Search Google for chemical match using the InChIKey OFRUGVQKZMGHHH-GOSISDBHSA-N
Search Google for chemicals with the same backbone OFRUGVQKZMGHHH
Comments
Amiselimod phosphate is the active metabolite of amiselimod [1]. Bioactivity is ascribed to this compound and not to the prodrug.