| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | O519NVW73R |
Structure
| InChI Key | CITWCLNVRIKQAF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H18ClN5O2S2 |
| Molecular Weight | 520.04 |
| AlogP | 5.51 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 128.84 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 35.0 |
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
|
0-1 | - | - | 1 | 0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Atrial Fibrillation | 2 | D001281 | ClinicalTrials |
| Angina, Stable | 2 | D060050 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3235279 |
| DrugBank | DB16118 |
| FDA SRS | O519NVW73R |
| Guide to Pharmacology | 11221 |
| PubChem | 9936489 |
| SureChEMBL | SCHEMBL174016 |
| ZINC | ZINC000043202900 |
CONTENTS