AAE-M-PBP-amine

Ligand id: 8289

Name: AAE-M-PBP-amine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 41.57
Molecular weight 340.22
XLogP 6.28
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!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
MT1 receptor Agonist Partial agonist 8.9 pKi - 1
pKi 8.9 [1]