brucine N-oxide

Ligand id: 343

Name: brucine N-oxide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 71.06
Molecular weight 410.18
XLogP -0.05
No. Lipinski's rules broken 0

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
M4 receptor Allosteric modulator Neutral 3.6 pKd - 1
pKd 3.6 [1]
M4 receptor Allosteric modulator Positive 3.6 pKd - 1
pKd 3.6 [1]
M2 receptor Allosteric modulator Negative 3.5 pKd - 1
pKd 3.5 [1]
M2 receptor Allosteric modulator Positive 3.5 pKd - 1
pKd 3.5 [1]
M1 receptor Allosteric modulator Neutral 3.2 pKd - 1
pKd 3.2 [1]
M1 receptor Allosteric modulator Positive 3.2 pKd - 1
pKd 3.2 [1]
M3 receptor Allosteric modulator Neutral 2.5 pKd - 1
pKd 2.5 [1]
M3 receptor Allosteric modulator Positive 2.5 pKd - 1
pKd 2.5 [1]
M5 receptor Allosteric modulator Negative 2.3 pKd - 1
pKd 2.3 [1]
M5 receptor Allosteric modulator Positive 2.3 pKd - 1
pKd 2.3 [1]