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 |