e-Drug3D

1896

SIPONIMOD


INN
SIPONIMOD

cas 1230487-00-9
CLASS

IMMUNOSUPPRESSANTS
A SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATOR (SIP RECEPTORS 1 AND 5)
TREATMENT OF RELAPSING FORMS OF MULTIPLE SCLEROSIS (MS)

REDUCES THE NUMBER OF LYMPHOCYTES IN PERIPHERAL BLOOD

ROUTE (list)

ORAL

ATC code

L04AE03

PK parameters

F 84 PERCENT
Tmax 4 HOUR
VD 124 LITER
Cl 3.11 LITER / HOUR
PPB 99.9 PERCENT
t1/2 30 HOUR

Target

TARGET SPHINGOSINE 1-PHOSPHATE RECEPTOR (S1P)

PDB
7EVY (CRYO-EM STRUCTURE OF SIPONIMOD -BOUND SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 IN COMPLEX WITH GI PROTEIN)

Ligand code = J8C (link to the list of PDB complexes)

Download experimental 3D coordinates of J8C with added hydrogens

DrugCentral

Sphingosine 1-phosphate receptor 1 UNIPROT P21453 S1PR1

Sphingosine 1-phosphate receptor 5 UNIPROT Q9H228 S1PR5

Download SDF file 3-Azetidinecarboxylic acid, 1-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-

Formula:
C29H35F3N2O3

Calculated chemical properties:

MW 515.58
NB_atoms 37
XLogP 5.44
PSA 62.152
NB_HD 0
NB_HA 5
fsp3 0.52
Lipinski(0=no;1=yes) 0

FDA
NDA 209884 (label) INN (SIPONIMOD) MAYZENT (NOVARTIS) APPROVAL= AP YEAR= 2019 NEWMOLECULARENTITY
NDA 218228 (pdf not found) INN (SIPONIMOD) SIPONIMOD (CIPLA LTD) APPROVAL= TA YEAR= 2025
NDA 218393 (pdf not found) INN (SIPONIMOD) SIPONIMOD (DR REDDYS LABS LTD) APPROVAL= TA YEAR= 2025
NDA 218444 (pdf not found) INN (SIPONIMOD) SIPONIMOD (RICONPHARMA LLC) APPROVAL= AP YEAR= 2025 DISCONTINUED

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL