| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05BA03 |
| UNII: | P0J3387W3S |
Structure
| InChI Key | YLCXGBZIZBEVPZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H15ClN2 |
| Molecular Weight | 270.76 |
| AlogP | 3.63 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 15.6 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | - | - | 528 | - |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 31807 |
| ChEMBL | CHEMBL28333 |
| DrugBank | DB13437 |
| DrugCentral | 1654 |
| EPA CompTox | DTXSID1048708 |
| FDA SRS | P0J3387W3S |
| PubChem | 4041 |
| SureChEMBL | SCHEMBL18472 |
| ZINC | ZINC000000001659 |
CONTENTS