| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | C9Z9ICZ7YR |
Structure
| InChI Key | PFENFDGYVLAFBR-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H20N2O2S |
| Molecular Weight | 316.43 |
| AlogP | 3.07 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 55.56 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Nucleotide-like receptor (family A GPCR)
Adenosine receptor
|
10300 | - | - | - | - |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135353 |
| ChEMBL | CHEMBL592943 |
| DrugBank | DB13001 |
| DrugCentral | 2672 |
| EPA CompTox | DTXSID9023677 |
| FDA SRS | C9Z9ICZ7YR |
| PubChem | 5480 |
| SureChEMBL | SCHEMBL24761 |
| ZINC | ZINC000019313075 |
CONTENTS