| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | KNM216XOUH |
Structure
| InChI Key | KYDURMHFWXCKMW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H19FN4O2 |
| Molecular Weight | 354.39 |
| AlogP | 3.17 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 90.13 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | - | - | 0-0 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Child Development Disorders, Pervasive | 2 | D002659 | ClinicalTrials |
| Anxiety | 2 | D001007 | ClinicalTrials |
| Fragile X Syndrome | 1 | D005600 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1783282 |
| DrugBank | DB13994 |
| FDA SRS | KNM216XOUH |
| Guide to Pharmacology | 7712 |
| SureChEMBL | SCHEMBL1962584 |
| ZINC | ZINC000071295104 |
CONTENTS