Structure

InChI Key DFQGDHBGRSTTHX-UHFFFAOYSA-N
Smiles CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1
InChI
InChI=1S/C38H43N3O4S/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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H43N3O4S
Molecular Weight 637.85
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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- 0.7-506 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.7-506 - - -
Rattus norvegicus
- 16-239 - - -

Target Conservation

Protein: 5-lipoxygenase activating protein

Description: Arachidonate 5-lipoxygenase-activating protein

Organism : Homo sapiens

P20292 ENSG00000132965

Cross References

Resources Reference
ChEMBL CHEMBL1922660
DrugBank DB06346
FDA SRS Y1NA96IX3T
PubChem 44473151
SureChEMBL SCHEMBL11820
ZINC ZINC000068247071