| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D01AE14 |
| UNII: | 19W019ZDRJ |
Structure
| InChI Key | SCKYRAXSEDYPSA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.27 |
| AlogP | 2.44 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 5000 | - | - | 0 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC47 family of multidrug and toxin extrusion transporters
|
- | - | - | - | 52 |
Indications
Related Entries
MCS
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29342-05-0 |
| ChEBI | 453011 |
| ChEMBL | CHEMBL1413 |
| DrugBank | DB01188 |
| DrugCentral | 636 |
| EPA CompTox | DTXSID9048564 |
| FDA SRS | 19W019ZDRJ |
| Human Metabolome Database | HMDB0015319 |
| KEGG | D03488 |
| PDB | B4O |
| PharmGKB | PA164747060 |
| PubChem | 2749 |
| SureChEMBL | SCHEMBL34424 |
| ZINC | ZINC000000001145 |
CONTENTS