(Q18604129)

English

Ponesimod

Ponesimod an experimental drug for the treatment of multiple sclerosis and psoriasis.

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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image of molecular model or crystal lattice model

Ponesimod ball-and-stick model.png
1,487 × 1,176; 288 KB

depicts

ball-and-stick model

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mass

460.12235596 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₅ClN₂O₄S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCN=C1SC(=Cc2ccc(OCC(O)CO)c(Cl)c2)C(=O)N1c1ccccc1C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCN=C1S/C(=C\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C

1 reference

based on heuristic

inferred from InChI

physically interacts with

Sphingosine-1-phosphate receptor 1

subject has role

agonist

1 reference

stated in

Open Targets Platform

retrieved

14 August 2023

reference URL

https://platform.opentargets.org/drug/CHEMBL1096146

Commons category

Ponesimod

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Identifiers

InChI

InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1

1 reference

reference URL

https://pubchem.ncbi.nlm.nih.gov/compound/11363176

retrieved

April 2018

InChIKey

LPAUOXUZGSBGDU-ULCCENQXSA-N

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0 references

1 reference

imported from Wikimedia project

English Wikipedia

PubChem CID

11363176

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imported from Wikimedia project

English Wikipedia

matched by identifier from

InChIKey

LPAUOXUZGSBGDU-ULCCENQXSA-N

ChEMBL ID

CHEMBL1096146

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imported from Wikimedia project

1 reference

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DSSTOX compound identifier

DTXCID80157122

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Guide to Pharmacology Ligand ID

9320

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stated in

IUPHAR/BPS Guide to PHARMACOLOGY

retrieved

8 February 2021

DrugBank ID

DB12016

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MedlinePlus drug identifier

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1 reference

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Microsoft Academic ID

2777987999

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WikiProjectMed ID

Ponesimod

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Sitelinks

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Multilingual sites(1 entry)

commonswiki Category:Ponesimod