| Synonyms: | |
| Status: | Approved (1948) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D04AA04 |
| UNII: | 3C5ORO99TY |
Structure
| InChI Key | UFLGIAIHIAPJJC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H21N3 |
| Molecular Weight | 255.37 |
| AlogP | 2.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 19.37 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
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
Histamine receptor
|
- | 40 | - | - | 66 |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 9741 |
| ChEMBL | CHEMBL1241 |
| DrugBank | DB00792 |
| DrugCentral | 2762 |
| EPA CompTox | DTXSID8023717 |
| FDA SRS | 3C5ORO99TY |
| Human Metabolome Database | HMDB0014930 |
| Guide to Pharmacology | 7318 |
| KEGG | C07180 |
| PharmGKB | PA164764429 |
| PubChem | 5587 |
| SureChEMBL | SCHEMBL17970 |
| ZINC | ZINC000019117728 |
CONTENTS