| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1977) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 0VE05JYS2P |
| Parent Compound: | CYCLOBENZAPRINE |
Structure
| InChI Key | VXEAYBOGHINOKW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H22ClN |
| Molecular Weight | 311.86 |
| AlogP | 4.55 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 3.24 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 102 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Migraine Disorders | 3 | D008881 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 3997 |
| ChEMBL | CHEMBL1200636 |
| EPA CompTox | DTXSID2045105 |
| FDA SRS | 0VE05JYS2P |
| PubChem | 22576 |
| SureChEMBL | SCHEMBL41376 |
CONTENTS