Trade Names | |
Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | D06AX02 D10AF03 G01AA05 J01BA01 S01AA01 S02AA01 S03AA08 |
UNII | 66974FR9Q1 |
EPA CompTox | DTXSID7020265 |
InChI Key | WIIZWVCIJKGZOK-RKDXNWHRSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C11H12Cl2N2O5 | |
Molecular Weight | 323.13 | |
AlogP | 0.91 | |
Hydrogen Bond Acceptor | 5.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 6.0 | |
Polar Surface Area | 112.7 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 20.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Ligase
|
7900 | - | - | - | - | ||
Other cytosolic protein
|
- | 430 | - | - | - | ||
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 85 | ||
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 1 | ||
Unclassified protein
|
- | 430 | - | - | - |
Resources | Reference | |
---|---|---|
ChEBI | 17698 | |
ChEMBL | CHEMBL130 | |
DrugBank | DB00446 | |
DrugCentral | 589 | |
FDA SRS | 66974FR9Q1 | |
Human Metabolome Database | HMDB0014589 | |
Guide to Pharmacology | 10901 | |
KEGG | C00918 | |
PDB | CLM | |
PubChem | 5959 | |
SureChEMBL | SCHEMBL16111 | |
ZINC | ZINC000000113382 |