| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1999) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N05CF03 |
| UNII: | S62U433RMH |
| InChI Key | HUNXMJYCHXQEGX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H15N5O |
| Molecular Weight | 305.34 |
| AlogP | 2.64 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 74.29 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 23.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| POSITIVE ALLOSTERIC MODULATOR | GABA A receptor alpha-1/beta-1/gamma-2 positive allosteric modulator |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Enzyme
Oxidoreductase
|
- | - | - | 83000 | - | |
|
Enzyme
Transferase
|
- | - | - | - | 26.17 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -22.7--5.28 | |
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
1630 | - | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Anxiety | 3 | D001007 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Sleep Wake Disorders | 2 | D012893 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 151319-34-5 |
| ChEBI | 10102 |
| ChEMBL | CHEMBL1521 |
| DrugBank | DB00962 |
| DrugCentral | 2857 |
| EPA CompTox | DTXSID5023748 |
| FDA SRS | S62U433RMH |
| Human Metabolome Database | HMDB15097 |
| Guide to Pharmacology | 4345 |
| KEGG | C07484 |
| PharmGKB | PA451952 |
| PubChem | 5719 |
| SureChEMBL | SCHEMBL29118 |
| ZINC | ZINC000000006300 |