Synonyms: | |
Status: | Approved (1949) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | 48U51W007F |
InChI Key | ASWVTGNCAZCNNR-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C12H14N4O2S |
Molecular Weight | 278.34 |
AlogP | 1.48 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 97.97 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 19.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C9
|
- | - | - | - | ||
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 91 |
Resources | Reference |
---|---|
ChEBI | 102265 |
ChEMBL | CHEMBL446 |
DrugBank | DB01582 |
DrugCentral | 2502 |
EPA CompTox | DTXSID6021290 |
FDA SRS | 48U51W007F |
Human Metabolome Database | HMDB0015522 |
KEGG | C19530 |
PharmGKB | PA451542 |
PubChem | 5327 |
SureChEMBL | SCHEMBL151305 |
ZINC | ZINC000000057494 |