Trade Names | |
Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | L01AC01 |
UNII | 905Z5W3GKH |
EPA CompTox | DTXSID0021339 |
InChI Key | FOCVUCIESVLUNU-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C6H12N3PS | |
Molecular Weight | 189.22 | |
AlogP | 0.16 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 9.03 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 11.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
DNA inhibitor | INHIBITOR | FDA |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2B
Cytochrome P450 2B1
|
- | - | - | 31000 | - | ||
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2B
Cytochrome P450 2B6
|
- | - | - | 2200-50000 | - | ||
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | -40-68 |
Resources | Reference | |
---|---|---|
ChEBI | 9570 | |
ChEMBL | CHEMBL671 | |
DrugBank | DB04572 | |
DrugCentral | 2638 | |
FDA SRS | 905Z5W3GKH | |
Human Metabolome Database | HMDB0015576 | |
Guide to Pharmacology | 7622 | |
KEGG | C07641 | |
PubChem | 5453 | |
SureChEMBL | SCHEMBL4760 | |
ZINC | ZINC000001530867 |