Ligand id: 8222

Name: beta-carboline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 28.68
Molecular weight 168.07
XLogP 2.47
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 enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
indoleamine 2,3-dioxygenase 1 Inhibitor Inhibition 0.9 pKi - 1
pKi 0.9 (Ki 1.2x10-1 M) [1]