Structure

InChI Key ZEYYDOLCHFETHQ-JOCHJYFZSA-N
Smile O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1
InChI
InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23NO3
Molecular Weight 361.44
AlogP 5.17
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 59.42
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 5-lipoxygenase activating protein inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 60 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Coronary Syndrome 3 D054058 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL88712
DrugBank DB16346
EPA CompTox DTXSID60155843
FDA SRS JXH6X663L0
Guide to Pharmacology 5148
PDB QY1
PubChem 123723
SureChEMBL SCHEMBL1004174
ZINC ZINC000000598193