| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | A07EC01 |
| UNII | 3XC8GUZ6CB |
| EPA CompTox | DTXSID0021256 |
| InChI Key | NCEXYHBECQHGNR-QZQOTICOSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H14N4O5S |
| Molecular Weight | 398.4 |
| AlogP | 3.7 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 141.31 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 28.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Arachidonate 5-lipoxygenase inhibitor | INHIBITOR | PubMed PubMed PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 37.6 | |
|
Enzyme
Kinase
Protein Kinase
AGC protein kinase group
AGC protein kinase SGK family
|
- | - | - | - | 70 | |
|
Enzyme
Oxidoreductase
|
- | - | 436.52-440 | - | 60 | |
|
Enzyme
Transferase
|
- | - | - | - | 0 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)
SLC07 Cationic amino acid transporter/glycoprotein-associated family
|
- | 160 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | 560 | - | 530 | 72.1-126.2 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | ||
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
916 | - | - | - | - |
|
Protein: Arachidonate 5-lipoxygenase Description: Polyunsaturated fatty acid 5-lipoxygenase Organism : Homo sapiens P09917 ENSG00000012779 |
||||
|
Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 1 Organism : Homo sapiens P23219 ENSG00000095303 |
||||
|
Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 2 Organism : Homo sapiens P35354 ENSG00000073756 |
||||
| Resources | Reference |
|---|---|
| ChEBI | 9334 |
| ChEMBL | CHEMBL421 |
| DrugBank | DB00795 |
| DrugCentral | 2525 |
| FDA SRS | 3XC8GUZ6CB |
| Human Metabolome Database | HMDB0014933 |
| Guide to Pharmacology | 4840 |
| KEGG | C07316 |
| PDB | SAS |
| SureChEMBL | SCHEMBL4515 |
| ZINC | ZINC000003831490 |