| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C01BA05 |
| UNII: | 1PON08459R |
Structure
| InChI Key | CJDRUOGAGYHKKD-FUIWMBJSSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H26N2O2 |
| Molecular Weight | 326.44 |
| AlogP | 1.55 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 46.94 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 22 | |
|
Enzyme
Oxidoreductase
|
- | - | - | - | 12 | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 1040 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated calcium channel
|
- | 70800 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 8200 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 35 |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4360-12-7 |
| ChEMBL | CHEMBL2105617 |
| FDA SRS | 1PON08459R |
| PubChem | 6100671 |
CONTENTS