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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31N3O5
Molecular Weight 453.5307
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CENERIMOD

SMILES

CCC1=C(OC[C@@H](O)CO)C(C)=CC(=C1)C2=NOC(=N2)C3=CC(=NC(OC)=C3)C4CCCC4

InChI

InChIKey=KJKKMMMRWISKRF-FQEVSTJZSA-N
InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H31N3O5
Molecular Weight 453.5307
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Cenerimod is an orally available sphingosine-1-phosphate receptor 1 (S1P1) modulator that is being developed by Idorsia Pharmaceuticals for the treatment of systemic lupus erythematosus. Sphingosine-1-phosphate (S1P), a lipid mediator, regulates lymphocyte migration between lymphoid tissue and blood. Cenerimod is a potent, selective, safe and orally administrable S1P1 receptor modulator, which reportedly reduced blood lymphocytes and attenuated murine experimental autoimmune encephalomyelitis (EAE) in a murine model. Cenerimod has potential as novel therapy with an improved safety profile for autoimmune diseases with a high unmet medical need.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
2.7 nM [EC50]

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
0.5, 1, 2 or 4 mg/day
Route of Administration: Oral
Substance Class Chemical
Record UNII
Y333RS1786
Record Status Validated (UNII)
Record Version