Ligand id: 8378

Name: tafamidis

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 63.33
Molecular weight 306.98
XLogP 3.7
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!)

Bioactivity Comments
Tafamidis binds within the thyroxine-binding sites of the TTR complex to stabilise the tetrameric structure [2]. Tafamidis is able to stabilise wild-type and mutated TTR structures. Information from X-ray crystal structures indicates that tafamidis stabilises the interaction between the two identical homodimers which form the tetrameric TTR complex. The dimer-dimer interaction is a relatively weak association and is the first to fail in tetramer dissociation [3].
Selectivity at Human other protein targets
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
transthyretin None Binding 8.7 pKd - 2
pKd 8.7 (Kd 2x10-9 M) [2]
Ligand mentioned in the following text fields