Trade Names: | |
Synonyms: | |
Status: | Approved (1982) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | J01ED08 |
UNII: | 0J8L4V3F81 |
InChI Key | QWCJHSGMANYXCW-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C15H14N4O2S |
Molecular Weight | 314.37 |
AlogP | 2.26 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 90.01 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 22.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Bacterial dihydropteroate synthase inhibitor | PubMed |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 1
Cytochrome P450 family 1A
Cytochrome P450 1A2
|
- | - | - | - | 20 | |
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C18
|
- | 60000 | - | - | - | |
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C9
|
- | 80-10000 | - | 200-500 | 11-98 | |
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | - | - | - | 7 | |
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | - | - | - | 21 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 17-105 |
Resources | Reference |
---|---|
CAS NUMBER | 526-08-9 |
ChEBI | 77780 |
ChEMBL | CHEMBL1109 |
DrugBank | DB06729 |
DrugCentral | 2523 |
EPA CompTox | DTXSID2044131 |
FDA SRS | 0J8L4V3F81 |
Human Metabolome Database | HMDB0015667 |
KEGG | D01954 |
PharmGKB | PA130231310 |
PubChem | 5335 |
SureChEMBL | SCHEMBL122040 |
ZINC | ZINC000000057490 |