tafamidis

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

Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2011))
IUPAC Name
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
International Nonproprietary Names
INN number INN
9094 tafamidis
Synonyms
FX-1006
Comments
Tafamidis binds potently and selectively to transthyretin (TTR), stabilising protein tetramers, thereby inhibiting the formation of amyloid fibrils [2]. The trade name for this drug is Vyndaqel which contains tafamidis meglumine (PubChem CID 24970412).
Database Links
CAS Registry No. 594839-88-0
ChEMBL Ligand CHEMBL2103837
GtoPdb PubChem SID 252166590
PubChem CID 11001318
RCSB PDB Ligand 3MI
Search Google for chemical match using the InChIKey TXEIIPDJKFWEEC-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey TXEIIPDJKFWEEC-UHFFFAOYSA-N
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SynPHARM 82072 (in complex with transthyretin)