e-Drug3D

1936

OZANIMOD

INN
OZANIMOD

cas 1306760-87-1

CLASS

IMMUNOSUPPRESSANTS
IMMUNOMODULATING
SPHINGOSINE 1- PHOSPHATE RECEPTOR (SIP) MODULATOR
TREATMENT OF RELAPSING FORMS OF MULTIPLE SCLEROSIS (MS)

ROUTE (list)

ORAL

ATC code

L04AE02

PK parameters

Tmax 7 HOUR
Cmax 0.6 NANOMOLAR
VD 5590 LITER
Cl 192 LITER / HOUR
PPB 98.2 PERCENT
t1/2 21 HOUR

Solubility

FREELY SOLUBLE IN WATER

Target

TARGET SPHINGOSINE 1- PHOSPHATE RECEPTORS S1P 1 AND 5

PDB
7EW0 (CRYO-EM STRUCTURE OF OZANIMOD -BOUND SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 IN COMPLEX WITH GI PROTEIN)

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

Download experimental 3D coordinates of JEU with added hydrogens

DrugCentral

Sphingosine 1-phosphate receptor 1 UNIPROT P21453 S1PR1

Sphingosine 1-phosphate receptor 5 UNIPROT Q9H228 S1PR5

Download SDF file

Benzonitrile, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-

Formula:
C23H24N4O3

Calculated chemical properties:

MW 404.46
NB_atoms 30
XLogP 3.63
PSA 95.804
NB_HD 2
NB_HA 7
fsp3 0.35
Lipinski(0=no;1=yes) 1

FDA
NDA 209899 (label) INN (OZANIMOD HYDROCHLORIDE) ZEPOSIA (BRISTOL) APPROVAL= AP YEAR= 2020 NEWMOLECULARENTITY
NDA 219236 (pdf not found) INN (OZANIMOD) OZANIMOD (SYNTHON BV) APPROVAL= TA YEAR= 2025