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
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
Search Google for chemicals with the same backbone TXEIIPDJKFWEEC
Search PubMed clinical trials tafamidis
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Search UniChem for chemical match using the InChIKey TXEIIPDJKFWEEC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TXEIIPDJKFWEEC
SynPHARM 82072 (in complex with transthyretin)
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).