| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 9ORI6L73CJ |
Structure
| InChI Key | JOLJIIDDOBNFHW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H23N3OS |
| Molecular Weight | 281.43 |
| AlogP | 3.22 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 38.25 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| AGONIST | Muscarinic acetylcholine receptor M1 agonist | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
2-16218 | 2-10 | - | 8-4467 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 3 | D012559 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 10056 |
| ChEMBL | CHEMBL21536 |
| DrugBank | DB15357 |
| DrugCentral | 3652 |
| EPA CompTox | DTXSID60157286 |
| FDA SRS | 9ORI6L73CJ |
| Guide to Pharmacology | 57 |
| KEGG | C11767 |
| PubChem | 60809 |
| SureChEMBL | SCHEMBL121046 |
| ZINC | ZINC000001532358 |
CONTENTS