Trade Names: | |
Synonyms: | |
Status: | Approved (1985) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | D06BA05 |
UNII: | 21240MF57M |
InChI Key | FDDDEECHVMSUSB-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C6H8N2O2S |
Molecular Weight | 172.21 |
AlogP | -0.08 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 1.0 |
Polar Surface Area | 86.18 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 11.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C9
|
- | - | - | - | ||
Enzyme
Hydrolase
|
- | - | 17000 | - | 10 | |
Enzyme
Lyase
|
- | 260-7500 | 5550 | 240-28000 | - | |
Enzyme
|
- | 260-7500 | 17000 | 240-28000 | 10 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 114 |
Resources | Reference |
---|---|
CAS NUMBER | 63-74-1 |
ChEBI | 45373 |
ChEMBL | CHEMBL21 |
DrugBank | DB00259 |
DrugCentral | 2521 |
EPA CompTox | DTXSID4023622 |
FDA SRS | 21240MF57M |
Human Metabolome Database | HMDB0014404 |
KEGG | C07458 |
PDB | SAN |
PharmGKB | PA451545 |
PubChem | 5333 |
SureChEMBL | SCHEMBL740 |
ZINC | ZINC000000002101 |