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
Comments
Active metabolite of the prodrug fingolimod.
Database Links
BindingDB Ligand 50152337
ChEMBL Ligand CHEMBL114606
GtoPdb PubChem SID 135650290
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