| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | Q8L6AN59YY |
Structure
| InChI Key | YUUGYIUSCYNSQR-LBPRGKRZSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H20F7N3O4S |
| Molecular Weight | 543.46 |
| AlogP | 3.94 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 79.81 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Primary Target | |
|---|---|
| GlyT1 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | - | - | 47 | 67-95 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Obsessive-Compulsive Disorder | 2 | D009771 | ClinicalTrials |
| beta-Thalassemia | 2 | D017086 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 845614-11-1 |
| ChEMBL | CHEMBL1171829 |
| DrugBank | DB12426 |
| EPA CompTox | DTXSID80233556 |
| FDA SRS | Q8L6AN59YY |
| Guide to Pharmacology | 7546 |
| PubChem | 24946690 |
| SureChEMBL | SCHEMBL562490 |
| ZINC | ZINC000053294258 |
CONTENTS