| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8KFO2187CP |
Structure
| InChI Key | KURQKNMKCGYWRJ-HNNXBMFYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H21N7O3 |
| Molecular Weight | 407.43 |
| AlogP | 2.12 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 127.0 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 30.0 |
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
|
- | 17-70 | - | 192 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Attention Deficit Disorder with Hyperactivity | 1 | D001289 | ClinicalTrials |
| Parkinson Disease | 1 | D010300 | ClinicalTrials |
| Multiple Myeloma | 1 | D009101 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL4297184 |
| DrugBank | DB16125 |
| FDA SRS | 8KFO2187CP |
| Guide to Pharmacology | 10190 |
| PubChem | 44537963 |
| SureChEMBL | SCHEMBL536782 |
CONTENTS