Synonyms | |
Status | |
Molecule Category | Mixture |
UNII | 934T64RMNJ |
EPA CompTox | DTXSID6044143 |
InChI Key | UNZIDPIPYUMVPA-UHFFFAOYSA-M | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C13H17N3O4S | |
Molecular Weight | 311.36 | |
AlogP | 0.77 | |
Hydrogen Bond Acceptor | 6.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 4.0 | |
Polar Surface Area | 84.54 | |
Molecular species | ACID | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 21.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
Cyclooxygenase inhibitor | INHIBITOR | PubMed PubMed PubMed PubMed PubMed |
Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 1 Organism : Homo sapiens P23219 ENSG00000095303 |
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Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 2 Organism : Homo sapiens P35354 ENSG00000073756 |
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Resources | Reference | |
---|---|---|
ChEBI | 62088 | |
ChEMBL | CHEMBL461522 | |
DrugBank | DB04817 | |
DrugCentral | 4659 | |
FDA SRS | 934T64RMNJ | |
Guide to Pharmacology | 10608 | |
PubChem | 23674183 | |
SureChEMBL | SCHEMBL24997 | |
ZINC | ZINC000001782155 | |
ChEBI | 32169 | |
ChEMBL | CHEMBL3989803 | |
FDA SRS | 6429L0L52Y | |
KEGG | C13229 | |
PubChem | 23674183 | |
SureChEMBL | SCHEMBL24995 |