CENERIMOD

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Synonyms:	Act-334441 ACT-334441 ACT334441 Cenerimod
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	Y333RS1786

Structure


InChI Key	KJKKMMMRWISKRF-FQEVSTJZSA-N
Smile	CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CO
InChI	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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H31N3O5
Molecular Weight	453.54
AlogP	4.07
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	110.73
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	33.0

Pharmacology

Action	Mechanism of Action	Reference
MODULATOR	Sphingosine 1-phosphate receptor Edg-1 modulator	PubMed Other PubMed

	Primary Target
S1P₁ receptor

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Lupus Erythematosus, Systemic	2	D008180	ClinicalTrials
Liver Diseases	1	D008107	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	1262414-04-9
ChEMBL	CHEMBL4297505
DrugBank	DB12705
FDA SRS	Y333RS1786
Guide to Pharmacology	9824
PubChem	49871973
SureChEMBL	SCHEMBL2671193
ZINC	ZINC000167253016

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