Trade Names | |
Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | L01AA02 |
UNII | 18D0SL7309 |
EPA CompTox | DTXSID7020263 |
InChI Key | JCKYGMPEJWAADB-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C14H19Cl2NO2 | |
Molecular Weight | 304.22 | |
AlogP | 3.38 | |
Hydrogen Bond Acceptor | 2.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 9.0 | |
Polar Surface Area | 40.54 | |
Molecular species | ACID | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 19.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
DNA inhibitor | INHIBITOR | ISBN |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | 65100 | - | - | - | ||
Enzyme
Oxidoreductase
|
- | - | - | - | 44 | ||
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 23 | ||
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | 80700 | - | 37400 | 66-103 |
Resources | Reference | |
---|---|---|
ChEBI | 28830 | |
ChEMBL | CHEMBL515 | |
DrugBank | DB00291 | |
DrugCentral | 588 | |
FDA SRS | 18D0SL7309 | |
Human Metabolome Database | HMDB0014436 | |
Guide to Pharmacology | 7143 | |
KEGG | C06900 | |
PDB | CBL | |
PharmGKB | PA448926 | |
PubChem | 2708 | |
SureChEMBL | SCHEMBL4308 | |
ZINC | ZINC000000001115 |