Synonyms: | |
Status: | Approved (1970) |
Entry Type: | Small molecule |
Molecule Category: | UKNOWN |
ATC: | N05AD08 |
UNII: | O9U0F09D5X |
InChI Key | RMEDXOLNCUSCGS-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C22H22FN3O2 |
Molecular Weight | 379.44 |
AlogP | 3.68 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 58.1 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 28.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 14 | |
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 32-32 | - | - | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated calcium channel
|
- | 7600 | - | - | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 740 | - | - | 91 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 148 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Postoperative Nausea and Vomiting | 4 | D020250 | ClinicalTrials |
Pain | 3 | D010146 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 4717 |
ChEMBL | CHEMBL1108 |
DrugBank | DB00450 |
DrugCentral | 966 |
EPA CompTox | DTXSID6022973 |
FDA SRS | O9U0F09D5X |
Human Metabolome Database | HMDB0014593 |
Guide to Pharmacology | 7172 |
PDB | USS |
PharmGKB | PA449422 |
SureChEMBL | SCHEMBL41426 |
ZINC | ZINC000019796080 |