| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R03AC11 |
| UNII: | 591I9SU0F7 |
Structure
| InChI Key | YREYLAVBNPACJM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.74 |
| AlogP | 2.76 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 32.26 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
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
Adrenergic receptor
|
- | - | 130 | - | - |
Indications
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 41570-61-0 |
| ChEBI | 93856 |
| ChEMBL | CHEMBL1159717 |
| DrugBank | DB12248 |
| DrugCentral | 2782 |
| EPA CompTox | DTXSID7048457 |
| FDA SRS | 591I9SU0F7 |
| PubChem | 5606 |
| SureChEMBL | SCHEMBL122692 |
CONTENTS