CENERIMOD

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 Search

SMILES

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

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/29226621 | https://www.ncbi.nlm.nih.gov/pubmed/30679645 | https://www.ncbi.nlm.nih.gov/pubmed/29211013

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 Target	Pharmacology	Condition	Potency
Sphingosine 1-phosphate receptor Edg-1 12 Target ID: CHEMBL4333 Sources: https://adisinsight.springer.com/drugs/800033766 \| https://www.ncbi.nlm.nih.gov/pubmed/29211013	Agonist 2678		2.7 nM [EC50]

PubMed

Title	Date	PubMed
Cenerimod, a novel selective S1P(1) receptor modulator with unique signaling properties.	2017 Dec	29226621

Patents

Sample Use Guides

In Vivo Use Guide

0.5, 1, 2 or 4 mg/day

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:07:28 GMT 2023` Edited by `admin` on `Sat Dec 16 11:07:28 GMT 2023`
Record UNII	Y333RS1786
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CENERIMOD

Official Name

English

(2S)-3-{4-[5-(2-Cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy}propane-1,2-diol

Systematic Name

English

1,2-PROPANEDIOL, 3-(4-(5-(2-CYCLOPENTYL-6-METHOXY-4-PYRIDINYL)-1,2,4-OXADIAZOL-3-YL)-2-ETHYL-6-METHYLPHENOXY)-, (2S)-

Systematic Name

English

Cenerimod [WHO-DD]

Common Name

English

cenerimod [INN]

Common Name

English

ACT334441

Code

English

ACT-334441

Code

English

(S)-3-((4-(5-(2-CYCLOPENTYL-6-METHOXYPYRIDIN-4-YL)(1,2,4)OXADIAZOL-3-YL)-2-ETHYL-6-METHYLPHENYL)OXY)PROPANE-1,2-DIOL

Systematic Name

English

CENERIMOD [USAN]

Common Name

English

Code System Code Type Description

INN

10183