Compound Detail
CHEMBL1096146
PONESIMOD 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1096146 |
| Name | PONESIMOD |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | LPAUOXUZGSBGDU-STDDISTJSA-N |
| Therapeutic | ✓ Yes |
2
Targets
4
Activities
2
Assay Types
3
PK Parameters
17
Publications
3
Known Names
4
Indications
1
Mechanisms
Molecular Properties
461.0
MW (Da)
4.27
ALogP
6
HBA
2
HBD
82.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2021 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Sphingosine 1-phosphate receptor Edg-1 agonist | AGONIST | Sphingosine 1-phosphate receptor 1 | ✓ | ✓ |
Indications
Multiple Sclerosis Multiple Sclerosis, Relapsing-Remitting Bronchiolitis Obliterans Syndrome Psoriasis
ATC Classification
L04AE04
ponesimod
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: IMMUNOSUPPRESSANTS
Activity Summary
EC50 3 meas. best 8.01
IC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 8.01 | 8.005 | 9.7 | 2 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
| Sphingosine 1-phosphate receptor 3 CHEMBL3892 | EC50 | 6.96 | 6.96 | 109.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 30.0 | hr | - |
| T1/2 | 3.0 | hr | Homo sapiens |
| T1/2 | 3.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 9.7 | nM | 8.01 | Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GT... | 20446681 |
| Sphingosine 1-phosphate receptor 1 | EC50 | = | 10.0 | nM | 8.0 | Modulation of S1PR1 (unknown origin) | 36758307 |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 12.59 | nM | 7.9 | Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by b... | 30143424 |
| Sphingosine 1-phosphate receptor 3 | EC50 | = | 109.0 | nM | 6.96 | Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GT... | 20446681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 20446681 | 10.1021/jm100181s | Rattus norvegicus | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 30143424 | 10.1016/j.bmcl.2018.07.044 | No relevant target | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 30143424 | 10.1016/j.bmcl.2018.07.044 | Homo sapiens | 1 |
| 36758307 | 10.1016/j.ejmech.2023.115182 | Sphingosine 1-phosphate receptor 1 | 1 |
| 30891137 | 10.1021/acsmedchemlett.8b00616 | ADMET | 1 |
| 30891137 | 10.1021/acsmedchemlett.8b00616 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 30143424 | 10.1016/j.bmcl.2018.07.044 | ADMET | 1 |
| 30143424 | 10.1016/j.bmcl.2018.07.044 | Sphingosine 1-phosphate receptor 1 | 1 |
| 28291340 | 10.1021/acs.jmedchem.6b01575 | Homo sapiens | 1 |
| 24125884 | 10.1016/j.bmcl.2013.09.058 | No relevant target | 1 |
| 20446681 | 10.1021/jm100181s | Sphingosine 1-phosphate receptor 1 | 1 |
| 20446681 | 10.1021/jm100181s | Sphingosine 1-phosphate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine