| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 950O97NUPO |
Structure
| InChI Key | DTYWJKSSUANMHD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H29N9O3 |
| Molecular Weight | 503.57 |
| AlogP | 2.16 |
| Hydrogen Bond Acceptor | 12.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 125.0 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 37.0 |
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 | 1-5 | 120 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Parkinson Disease | 3 | D010300 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 377727-87-2 |
| ChEMBL | CHEMBL240624 |
| DrugBank | DB11864 |
| EPA CompTox | DTXSID90191219 |
| FDA SRS | 950O97NUPO |
| Guide to Pharmacology | 5614 |
| PubChem | 10117987 |
| SureChEMBL | SCHEMBL2856554 |
| ZINC | ZINC000053006885 |
CONTENTS