| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | E9M81NJM6G |
Structure
| InChI Key | PFWLFWPASULGAN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.14 |
| AlogP | -0.23 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 84.06 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | 5550 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Nucleotide-like receptor (family A GPCR)
Adenosine receptor
|
- | - | - | 33000 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Myopia | 2 | D009216 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 48991 |
| ChEMBL | CHEMBL321248 |
| EPA CompTox | DTXSID60203696 |
| FDA SRS | E9M81NJM6G |
| Human Metabolome Database | HMDB0001991 |
| KEGG | C16353 |
| PubChem | 68374 |
| SureChEMBL | SCHEMBL235130 |
| ZINC | ZINC000000391789 |
CONTENTS