Structure

InChI Key NOJNFULGOQGBKB-UHFFFAOYSA-M
Smiles CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1.[Na+]
InChI
InChI=1S/C38H43N3O4S.Na/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43;/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H42N3NaO4S
Molecular Weight 659.83
AlogP 8.98
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 86.47
Molecular species ACID
Aromatic Rings 5.0
Heavy Atoms 46.0

Pharmacology

Mechanism of Action Action Reference
5-lipoxygenase activating protein inhibitor INHIBITOR PubMed PubMed

Target Conservation

Protein: 5-lipoxygenase activating protein

Description: Arachidonate 5-lipoxygenase-activating protein

Organism : Homo sapiens

P20292 ENSG00000132965

Cross References

Resources Reference
ChEMBL CHEMBL1922673
FDA SRS 75YS00XOG3
PubChem 44473150
SureChEMBL SCHEMBL1254527