| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | T97CB3796L |
Structure
| InChI Key | CJXAEXPPLWQRFR-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H20ClN3 |
| Molecular Weight | 325.84 |
| AlogP | 4.33 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 21.06 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Transient receptor potential channel
|
- | 11300 | - | - | - | |
|
Unclassified protein
|
- | 1100 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
| Epilepsies, Myoclonic | 2 | D004831 | ClinicalTrials |
| Hepatitis C | 1 | D006526 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 52140 |
| ChEMBL | CHEMBL1407943 |
| DrugBank | DB15932 |
| DrugCentral | 672 |
| EPA CompTox | DTXSID0046939 |
| FDA SRS | T97CB3796L |
| Guide to Pharmacology | 10285 |
| PDB | GX0 |
| PubChem | 2782 |
| SureChEMBL | SCHEMBL29938 |
| ZINC | ZINC000000057260 |
CONTENTS