compound 57 [PMID: 16610804]

Ligand id: 8771

Name: compound 57 [PMID: 16610804]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 18
Topological polar surface area 104.06
Molecular weight 523.26
XLogP 7.05
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid
Database Links
ChEMBL Ligand CHEMBL443834
PubChem CID 11670893
Search Google for chemical match using the InChIKey NXDZVUAKVFVDSL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NXDZVUAKVFVDSL
Search UniChem for chemical match using the InChIKey NXDZVUAKVFVDSL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NXDZVUAKVFVDSL
Comments
Compound 57 inhibits human cytosolic phospholipase A2α (PLA2G4A) [1].