| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2004) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 1E6682427E |
| Parent Compound: | TROSPIUM |
Structure
| InChI Key | RVCSYOQWLPPAOA-QKYUOBHYSA-M |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H30ClNO3 |
| Molecular Weight | 427.97 |
| AlogP | 3.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.53 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| 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
|
- | - | - | 1 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 1 | D029424 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 32270 |
| ChEMBL | CHEMBL3084748 |
| EPA CompTox | DTXSID7023724 |
| FDA SRS | 1E6682427E |
| SureChEMBL | SCHEMBL25785 |
CONTENTS