e-Drug3D

1538

M FINGOLIMOD


INN
FINGOLIMOD

(is an active metabolite)

cas 402616-26-6
CLASS

IMMUNOMODULATING
IMMUNOSUPPRESSANT
MULTIPLE SCLEROSIS
FINGOLIMOD IS METABOLIZED BY SPHINGOSINE KINASE TO THE ACTIVE METABOLITE FINGOLIMOD-PHOSPHATE
FINGOLIMOD-PHOSPHATE INVOLVES REDUCTION OF LYMPHOCYTE MIGRATION INTO THE CENTRAL NERVOUS SYSTEM
S1P1 MODULATOR (NOT ANTAGONIST BUT AN AGONIST THAT CAUSES RECEPTOR DEGRADATION VERSUS RECYCLING TO CELL SURFACE)

ROUTE (list)

-

ATC code

L04AE01

PK parameters

F 93 PERCENT
VD 1200 LITER
Cl 6.3 LITER / HOUR
PPB 99.7 PERCENT
t1/2 180 HOUR

Target

TARGET SPHINGOSINE 1-PHOSPHATE RECEPTOR (S1P1)

PDB
7VIF (CRYO-EM STRUCTURE OF GI COUPLED SPHINGOSINE 1-PHOSPHATE RECEPTOR BOUND WITH (S)-FTY720-P)

Ligand code = J89 (link to the list of PDB complexes)

Download experimental 3D coordinates of J89 with added hydrogens

DrugCentral

Sphingosine 1-phosphate receptor 1 UNIPROT P21453 S1PR1

Sphingosine 1-phosphate receptor 5 UNIPROT Q9H228 S1PR5

Download SDF file 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, 1-(dihydrogen phosphate), (2S)-

Formula:
C19H34NO5P

Calculated chemical properties:

MW 385.43
NB_atoms 26
XLogP 2.06
PSA 109.497
NB_HD 3
NB_HA 6
fsp3 0.68
Lipinski(0=no;1=yes) 1

FDA
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL