Ligand id: 8604

Name: BODIPY-pirenzepine  

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 143.41
Molecular weight 764.32
XLogP 6.69
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Data supports pirenzepine-induced dimerization of the receptors (through FCS) and a three-step binding model fully describes describing the formation of a first ligand-receptor complex (RL*) that slowly interconverts into a more stable one (RL), prone to subsequent dimerization (R2L2).
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
M1 receptor Hs Antagonist Antagonist 7.0 pKi - 1
pKi 7.0 [1]