Structure

InChI Key NCEXYHBECQHGNR-QZQOTICOSA-N
Smiles O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
InChI
InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+

Physicochemical Descriptors

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

Pharmacology

Mechanism of Action Action Reference
Arachidonate 5-lipoxygenase inhibitor INHIBITOR PubMed 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

Environmental Exposure

Countries
Croatia
Hungary
Romania
Slovenia

Cross References

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