Synonyms: | |
Status: | Approved (1982) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | P02BA01 |
UNII: | 6490C9U457 |
InChI Key | FSVJFNAIGNNGKK-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H24N2O2 |
Molecular Weight | 312.41 |
AlogP | 2.53 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 1.0 |
Polar Surface Area | 40.62 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 23.0 |
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
|
- | - | - | - | 126 | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 60270-96800 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Schistosomiasis haematobia | 3 | D012553 | ClinicalTrials |
Cysticercosis | 3 | D003551 | ClinicalTrials |
Schistosomiasis mansoni | 2 | D012555 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 91583 |
ChEMBL | CHEMBL976 |
DrugBank | DB01058 |
DrugCentral | 2241 |
EPA CompTox | DTXSID9021182 |
FDA SRS | 6490C9U457 |
Human Metabolome Database | HMDB0015191 |
KEGG | C07367 |
PharmGKB | PA164764583 |
SureChEMBL | SCHEMBL16019896 |