Ligand id: 783

Name: TAK-779

Structure and Physico-chemical Properties

2D Structure
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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
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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]