Synonyms | |
Status | |
Molecule Category | Mixture |
UNII | 934T64RMNJ |
EPA CompTox | DTXSID6044143 |
InChI Key | UNZIDPIPYUMVPA-UHFFFAOYSA-M |
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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 |