| 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 |