Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H25ClN2O4S |
Molecular Weight | 460.974 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC\N=C1/S\C(=C/C2=CC=C(OC[C@H](O)CO)C(Cl)=C2)C(=O)N1C3=CC=CC=C3C
InChI
InChIKey=LPAUOXUZGSBGDU-STDDISTJSA-N
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
Molecular Formula | C23H25ClN2O4S |
Molecular Weight | 460.974 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 2 |
Optical Activity | UNSPECIFIED |
Ponesimod is an experimental drug for the treatment of multiple sclerosis (MS) graft-versus-host disease and psoriasis. It acts on certain types of white blood cells (lymphocytes) which are involved in the autoimmune attack on myelin seen in multiple sclerosis (MS). Ponesimod is an orally active, reversible, and selective sphingosine-1-phosphate receptor (S1PR1) modulator. The drug is in phase II clinical trial for the treatment of graft-versus-host disease. In addition, the phase III clinical trial comparing ponesimod to teriflunomide in relapsing-remitting MS is ongoing.
Originator
Approval Year
PubMed
Title | Date | PubMed |
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Clinical pharmacology, efficacy, and safety aspects of sphingosine-1-phosphate receptor modulators. | 2016 Aug |
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[Psoriatic arthritis : Drugs of the (near) future]. | 2017 Aug |
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Sphingosine 1-Phosphate Receptor Modulators for the Treatment of Multiple Sclerosis. | 2017 Oct |
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S1P(1) Modulator-Induced G (α)(i) Signaling and β-Arrestin Recruitment Are Both Necessary to Induce Rapid and Efficient Reduction of Blood Lymphocyte Count In Vivo. | 2018 Feb |
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Modeling clinical efficacy of the S1P receptor modulator ponesimod in psoriasis. | 2018 Feb |
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Modeling Tolerance Development for the Effect on Heart Rate of the Selective S1P(1) Receptor Modulator Ponesimod. | 2018 Jun |
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Discovery of super soft-drug modulators of sphingosine-1-phosphate receptor 1. | 2018 Oct 15 |
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Oral small molecules for psoriasis. | 2018 Sep |
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Oral Therapies for Multiple Sclerosis. | 2019 Jan 2 |
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Cardiodynamic Interactions between Two S1P(1) Receptor Modulators in an Experimental Clinical Setting: Different Pharmacokinetic Properties as an Opportunity to Mitigate First-Dose Heart Rate Effects. | 2019 Jul 1 |
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Therapeutic Potential of Ponesimod Alone and in Combination with Dimethyl Fumarate in Experimental Models of Multiple Sclerosis. | 2019 Mar 1 |
Substance Class |
Chemical
Created
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admin
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Edited
Sun Dec 18 21:10:01 UTC 2022
by
admin
on
Sun Dec 18 21:10:01 UTC 2022
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Record UNII |
5G7AKV2MKP
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Record Status |
Validated (UNII)
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C308
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CHEMBL1096146
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DB12016
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DTXSID50234631
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Ponesimod
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C96534
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854107-55-4
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C550169
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BINDER->LIGAND |
mainly binding to albumin and alpha-1-acid glycoprotein
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METABOLIC ENZYME -> SUBSTRATE |
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EXCRETED UNCHANGED |
single oral administration
FECAL
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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ORAL BIOAVAILABILITY | PHARMACOKINETIC |
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Biological Half-life | PHARMACOKINETIC |
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Tmax | PHARMACOKINETIC |
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Volume of Distribution | PHARMACOKINETIC |
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