Structure

InChI Key VJYDOJXJUCJUHL-UHFFFAOYSA-N
Smile CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccc2n1Cc1ccccc1
InChI
InChI=1S/C22H22N2O5/c1-3-15-20(21(26)22(23)27)19-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(19)29-13-18(25)28-2/h4-11H,3,12-13H2,1-2H3,(H2,23,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22N2O5
Molecular Weight 394.43
AlogP 2.47
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 100.62
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Group X secretory phospholipase A2 inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Coronary Syndrome 3 D054058 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105659
DrugBank DB05737
FDA SRS 0NB98NBX3D
SureChEMBL SCHEMBL25678
ZINC ZINC000001550156