| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1955) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | KVI301NA53 |
| Parent Compound: | PYRIDOSTIGMINE |
| InChI Key | VNYBTNPBYXSMOO-UHFFFAOYSA-M |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13BrN2O2 |
| Molecular Weight | 261.12 |
| AlogP | 0.57 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 33.42 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 350-40000 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 112 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Heart Failure | 2 | D006333 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Hypotension | 2 | D007022 | ClinicalTrials |
| Hypotension, Orthostatic | 2 | D007024 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
| Glycogen Storage Disease Type II | 0 | D006009 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEBI | 8666 |
| ChEMBL | CHEMBL812 |
| EPA CompTox | DTXSID9023540 |
| FDA SRS | KVI301NA53 |
| KEGG | C07410 |
| PubChem | 7550 |
| SureChEMBL | SCHEMBL41147 |
| ZINC | ZINC00002009 |