Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N02BE03 |
UNII: | ER0CTH01H9 |
InChI Key | CPJSUEIXXCENMM-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C10H13NO2 |
Molecular Weight | 179.22 |
AlogP | 2.04 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 38.33 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 13.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 1
Cytochrome P450 family 1A
Cytochrome P450 1A2
|
- | - | - | - | 84 | |
Enzyme
|
- | - | - | - | 10 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | -1-98 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC47 family of multidrug and toxin extrusion transporters
|
- | - | - | - | 53 |
Resources | Reference |
---|---|
ChEBI | 8050 |
ChEMBL | CHEMBL16073 |
DrugBank | DB03783 |
DrugCentral | 2115 |
EPA CompTox | DTXSID1021116 |
FDA SRS | ER0CTH01H9 |
Guide to Pharmacology | 7402 |
KEGG | C07591 |
PDB | N4E |
PharmGKB | PA450897 |
PubChem | 4754 |
SureChEMBL | SCHEMBL23280 |
ZINC | ZINC000000000602 |