| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Salt-form |
| UNII | 4956DJR58O |
| EPA CompTox | DTXSID70896795 |
| Parent Compound: | MECAMYLAMINE |
Structure
| InChI Key | PKVZBNCYEICAQP-UHFFFAOYSA-N | |
|---|---|---|
| Smiles | ||
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C11H22ClN | |
| Molecular Weight | 203.76 | |
| AlogP | 2.42 | |
| Hydrogen Bond Acceptor | 1.0 | |
| Hydrogen Bond Donor | 1.0 | |
| Number of Rotational Bond | 1.0 | |
| Polar Surface Area | 12.03 | |
| Molecular species | BASE | |
| Aromatic Rings | 0.0 | |
| Heavy Atoms | 12.0 |
Bioactivity
| Mechanism of Action | Action | Reference | |
|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 negative allosteric modulator | NEGATIVE ALLOSTERIC MODULATOR | PubMed DailyMed Wikipedia Wikipedia |
|
Protein: Neuronal acetylcholine receptor; alpha3/beta4 Description: Neuronal acetylcholine receptor subunit beta-4 Organism : Homo sapiens P30926 ENSG00000117971 |
|
|||
|
Protein: Neuronal acetylcholine receptor; alpha3/beta4 Description: Neuronal acetylcholine receptor subunit alpha-3 Organism : Homo sapiens P32297 ENSG00000080644 |
|
|||
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 107 |
Cross References
| Resources | Reference | |
|---|---|---|
| ChEBI | 6707 | |
| ChEMBL | CHEMBL1237082 | |
| FDA SRS | 4956DJR58O | |
| Guide to Pharmacology | 3990 | |
| KEGG | C07511 | |
| PubChem | 13221 | |
| SureChEMBL | SCHEMBL123951 | |
| ZINC | ZINC38140873 |
CONTENTS