Structure and Physico-chemical Properties
|
Molecular properties generated using the CDK |
|||||||||||||||||||
Classification  |
|
| Compound class | Synthetic organic |
| IUPAC Name |
| (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one |
| International Nonproprietary Names |
|
| INN number | INN |
| 9150 | ponesimod |
| Synonyms |
| ACT-128800 | ACT128800 | Compound 8bo [PMID:20446681] |
| Database Links |
|
| CAS Registry No. | 854107-55-4 (source: WHO INN record) |
| ChEMBL Ligand | CHEMBL1096146 |
| GtoPdb PubChem SID | 318164839 |
| PubChem CID | 11363176 |
| Search Google for chemical match using the InChIKey | LPAUOXUZGSBGDU-ULCCENQXSA-N |
| Search Google for chemicals with the same backbone | LPAUOXUZGSBGDU |
| Search PubMed clinical trials | ponesimod |
| Search PubMed titles | ponesimod |
| Search PubMed titles/abstracts | ponesimod |
| Search UniChem for chemical match using the InChIKey | LPAUOXUZGSBGDU-ULCCENQXSA-N |
| Search UniChem for chemicals with the same backbone | LPAUOXUZGSBGDU |
| Comments |
| Ponesimod (ACT-128800) is an orally active sphingosine-1-phosphate (S1P) receptor modulator [1] in development as a disease-modifying therapy (DMT) for multiple sclerosis (MS). The compound is reported as a partial S1P4 and S1P5 receptor agonist, with maximum activity 18% and 42% of that induced by the endogenous ligand S1P (at 10μM ACT-128800) [1]. The INN record for ponesimod stipulates the (2R) stereoisomer ((2Z,5Z)-5-{3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenylmethylidene}-3-(2-methylphenyl)-2-(propylimino)-1,3-thiazolidin-4-one). Selective SIP1 receptor agonists are being developed and investigated for immunomodulatory/immunosuppresant potential in autoimmune diseases. |
