| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A02BX03 |
| UNII: | 3G0285N20N |
Structure
| InChI Key | RMHMFHUVIITRHF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H21N5O2 |
| Molecular Weight | 351.41 |
| AlogP | 1.56 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 68.78 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
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)
Monoamine receptor
Acetylcholine receptor
|
- | 170-2500 | 20 | 3-25 | 38-83 |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 8247 |
| ChEMBL | CHEMBL9967 |
| DrugBank | DB00670 |
| DrugCentral | 2200 |
| EPA CompTox | DTXSID7023487 |
| FDA SRS | 3G0285N20N |
| Human Metabolome Database | HMDB0014808 |
| Guide to Pharmacology | 328 |
| KEGG | C07508 |
| PharmGKB | PA10159 |
| PubChem | 4848 |
| SureChEMBL | SCHEMBL41705 |
| ZINC | ZINC000019632927 |
CONTENTS