| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C03BD01 |
| UNII: | OBD445WZ5P |
Structure
| InChI Key | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.17 |
| AlogP | -1.04 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 72.68 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 13.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 39 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Nucleotide-like receptor (family A GPCR)
Adenosine receptor
|
- | - | - | - | 40-40 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 101 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Bronchial Diseases | 3 | D001982 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 28946 |
| ChEMBL | CHEMBL1114 |
| DrugBank | DB01412 |
| DrugCentral | 2618 |
| EPA CompTox | DTXSID9026132 |
| FDA SRS | OBD445WZ5P |
| Human Metabolome Database | HMDB0002825 |
| KEGG | C07480 |
| PDB | 37T |
| PharmGKB | PA451646 |
| PubChem | 5429 |
| SureChEMBL | SCHEMBL3184 |
| ZINC | ZINC000000002151 |
CONTENTS