| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D06BA05 |
| UNII: | 21240MF57M |
Structure
| InChI Key | FDDDEECHVMSUSB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| 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 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Bacterial dihydropteroate synthase inhibitor |
| 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
|
- | 138790 | 17000 | - | 10.19 | |
|
Enzyme
Lyase
|
- | 256-7500 | 5550 | 240-3334264.13 | - | |
|
Enzyme
Transferase
|
- | - | - | - | 14.84-16.04 | |
|
Enzyme
|
- | 256-7500 | 17000 | 240-3334264.13 | 14.84-16.04 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -5.99--5.55 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 113.76 |
Indications
Related Entries
MCS
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63-74-1 |
| ChEBI | 45373 |
| ChEMBL | CHEMBL21 |
| DrugBank | DB00259 |
| DrugCentral | 2521 |
| EPA CompTox | DTXSID4023622 |
| FDA SRS | 21240MF57M |
| Human Metabolome Database | HMDB14404 |
| KEGG | C07458 |
| PDB | SAN |
| PharmGKB | PA451545 |
| PubChem | 5333 |
| SureChEMBL | SCHEMBL740 |
| ZINC | ZINC000000002101 |
CONTENTS