ELX-02   Click here for help

GtoPdb Ligand ID: 10944

Synonyms: CS-0095334 | ELX-02 (disulfate) | HY-114231B
Compound class: Synthetic organic
Comment: ELX-02 is a compound designed to restore CFTR function in people with CF who have nonsense mutations. Nonsense mutations (also known as “x” or “stop” mutations) in the CFTR gene cause the production of CFTR protein to stop prematurely. ELX-02 is intended allow lung cells to override these premature stop signals and make full-length, functional CFTR protein.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 14
Hydrogen bond donors 10
Rotatable bonds 6
Topological polar surface area 262.38
Molecular weight 482.26
XLogP -3.89
No. Lipinski's rules broken 2
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Canonical SMILES N[C@H]1C[C@@H](N)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](N)C)O
Isomeric SMILES N[C@H]1C[C@@H](N)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](N)C)O
InChI InChI=1S/C19H38N4O10/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24/h4-19,24-29H,3,20-23H2,1-2H3/t4-,5+,6+,7-,8+,9-,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11214 exaluren
Synonyms Click here for help
CS-0095334 | ELX-02 (disulfate) | HY-114231B
Database Links Click here for help
CAS Registry No. 1375073-93-0
ChEMBL Ligand CHEMBL2220482
DrugBank Ligand DB15080
GtoPdb PubChem SID 405560385
PubChem CID 71461382
Search Google for chemical match using the InChIKey KJBRSTPUILEBDR-DBMIJKFDSA-N
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UniChem Compound Search for chemical match using the InChIKey KJBRSTPUILEBDR-DBMIJKFDSA-N
UniChem Connectivity Search for chemical match using the InChIKey KJBRSTPUILEBDR-DBMIJKFDSA-N