TAK-779

Ligand id: 783

Name: TAK-779

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 38.33
Molecular weight 495.3
XLogP 6.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
CCR2 Hs Antagonist Antagonist 7.2 – 8.2 pKi - 1-2
pKi 8.2 [1-2]
pKi 7.2 [2]
CCR5 Hs Antagonist Antagonist 7.5 pKi - 3
pKi 7.5 [3]