compound 12e [PMID: 18605714]

Ligand id: 8787

Name: compound 12e [PMID: 18605714]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 111.62
Molecular weight 430.15
XLogP 5.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)benzo[g]indol-4-yl]oxyacetic acid
Database Links
ChEMBL Ligand CHEMBL515637
GtoPdb PubChem SID 252827445
PubChem CID 9867345
Search Google for chemical match using the InChIKey YLSSVFGTKZXLPA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YLSSVFGTKZXLPA
Search UniChem for chemical match using the InChIKey YLSSVFGTKZXLPA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YLSSVFGTKZXLPA
Comments
Compound 12e is one of the structures tested as an inhibitor of mammalian secreted phospholipases A2 [1].