ataluren   

GtoPdb Ligand ID: 7341

Synonyms: PTC124
ataluren is an approved drug (EMA (2014))
Compound class: Synthetic organic
Comment: Ataluren is a compound in an emerging class of chemicals which induce ribosomal readthrough. This developing pharmaceutical intervention has been termed 'readthrough strategy'. Clinically, this type of compound has potential benefit in the treatment of genetic disorders associated with loss of functional protein due to nonsense or PTC mutations, such as certain types of muscular dystrophy, cystic fibrosis and many cancers [1,4].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 76.22
Molecular weight 284.06
XLogP 3.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccccc1c1onc(n1)c1cccc(c1)C(=O)O
Isomeric SMILES Fc1ccccc1c1onc(n1)c1cccc(c1)C(=O)O
InChI InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)
InChI Key OOUGLTULBSNHNF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2014))
IUPAC Name
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
International Nonproprietary Names
INN number INN
8956 ataluren
Synonyms
PTC124
Database Links
CAS Registry No. 775304-57-9 (source: SciFinder)
ChEMBL Ligand CHEMBL256997
DrugCentral Ligand 4872
GtoPdb PubChem SID 178103913
PubChem CID 11219835
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