| Synonyms: | |
| Status: | Approved (2020) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L04AA38 |
| UNII: | Z80293URPV |
Structure
| InChI Key | XRVDGNKRPOAQTN-FQEVSTJZSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H24N4O3 |
| Molecular Weight | 404.47 |
| AlogP | 3.63 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 104.2 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Primary Target | |
|---|---|
| S1P1 receptor | |
| S1P5 receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Lipid-like ligand receptor (family A GPCR)
EDG receptor
|
0-0 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Crohn Disease | 3 | D003424 | ClinicalTrials |
| Colitis, Ulcerative | 3 | D003093 | ClinicalTrials |
| Multiple Sclerosis | 3 | D009103 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1306760-87-1 |
| ChEMBL | CHEMBL3707247 |
| DrugBank | DB12612 |
| DrugCentral | 5383 |
| FDA SRS | Z80293URPV |
| Guide to Pharmacology | 8709 |
| PubChem | 52938427 |
| SureChEMBL | SCHEMBL2195490 |
| ZINC | ZINC000116109867 |
CONTENTS