Ligand id: 7546

Name: bitopertin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 88.19
Molecular weight 543.11
XLogP 4.7
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 transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
GlyT1 Inhibitor Inhibition 7.5 pEC50 - 2
pEC50 7.5 (EC50 3x10-8 M) [2]
GlyT2 Inhibitor Inhibition <4.5 pEC50 - 2
pEC50 <4.5 (EC50 >3x10-5 M) [2]