Ligand id: 8817

Name: D-e-MAPP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 49.33
Molecular weight 361.3
XLogP 8.92
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
IC50 of 1-5µM for enzyme extracted from HL60 cells [1].