FTY720-phosphate

Ligand id: 2924

Name: FTY720-phosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 122.82
Molecular weight 387.22
XLogP 5.38
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug fingolimod
IUPAC Name
[2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
Synonyms
fingolimod phosphate | FTY-P | FTY720-P
Database Links
BindingDB Ligand 50152337
ChEMBL Ligand CHEMBL114606
PubChem CID 9908268
Search Google for chemical match using the InChIKey LRFKWQGGENFBFO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LRFKWQGGENFBFO
Search UniChem for chemical match using the InChIKey LRFKWQGGENFBFO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LRFKWQGGENFBFO
Comments
Active metabolite of the prodrug fingolimod.