Structure

InChI Key CKMOQBVBEGCJGW-LLIZZRELSA-L
Smiles O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+]
InChI
InChI=1S/C17H15N3O6.2Na/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;/q;2*+1/p-2/b20-19+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H13N3Na2O6
Molecular Weight 401.29
AlogP 2.71
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 148.65
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 26.0

Bioactivity

Mechanism of Action Action Reference
Arachidonate 5-lipoxygenase inhibitor INHIBITOR PubMed PubMed
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
Protein: Peroxisome proliferator-activated receptor gamma

Description: Peroxisome proliferator-activated receptor gamma

Organism : Homo sapiens

P37231 ENSG00000132170

Cross References

Resources Reference
ChEMBL CHEMBL1200760
FDA SRS 15ASW03C9S
SureChEMBL SCHEMBL30360