| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1978) Withdrawn (1992) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N05CD05 |
| UNII: | 1HM943223R |
Structure
| InChI Key | JOFWLTCLBGQGBO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H12Cl2N4 |
| Molecular Weight | 343.22 |
| AlogP | 4.23 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.07 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Primary Target | |
|---|---|
| GABAA receptor α1 subunit | |
| GABAA receptor α2 subunit | |
| GABAA receptor α3 subunit | |
| GABAA receptor α5 subunit |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | - | 1 | 1-2086 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Cholecystokinin receptor
|
- | 39000 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Lipid-like ligand receptor (family A GPCR)
PAF receptor
|
- | 11100 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 19 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
| Substance-Related Disorders | 2 | D019966 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 28911-01-5 |
| ChEBI | 9674 |
| ChEMBL | CHEMBL646 |
| DrugBank | DB00897 |
| DrugCentral | 2729 |
| EPA CompTox | DTXSID6046763 |
| FDA SRS | 1HM943223R |
| Human Metabolome Database | HMDB0015034 |
| Guide to Pharmacology | 7313 |
| KEGG | D00387 |
| PharmGKB | PA451753 |
| PubChem | 5556 |
| SureChEMBL | SCHEMBL29228 |
| ZINC | ZINC000000002212 |
CONTENTS