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 GtoPdb and ChEMBL (where available) across species

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 other protein targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
transthyretin Hs None Binding 8.7 pKd - 2
pKd 8.7 (Kd 2x10-9 M) [2]
Ligand mentioned in the following text fields