ezutromid   Click here for help

GtoPdb Ligand ID: 11110

Synonyms: 5-ethylsulfonyl-NBO | SMT C1100 | SMTC 1100 | SMTC1100
Compound class: Synthetic organic
Comment: Ezutromid (SMT C1100) is a clinical stage compound that was developed for its ability to increase expression of utrophin (UTRN; P46939), as a substitute for missing the dystrophin (DMD; P11532) in Duchenne muscular dystrophy (DMD) patients [1]. It is orally active. The aryl hydrocarbon receptor (AhR) has been reported as a molecular target for ezutromid, with ezutromid behaving as an AhR antagonist [2]. Ezutromid and other AhR antagonists up-regulate utrophin, adding to the proposition that this pathway offers disease-modifying potential for DMD.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 68.55
Molecular weight 337.08
XLogP 4.3
No. Lipinski's rules broken 0
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Canonical SMILES CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2
Isomeric SMILES CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2
InChI InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
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
10163 ezutromid
Synonyms Click here for help
5-ethylsulfonyl-NBO | SMT C1100 | SMTC 1100 | SMTC1100
Database Links Click here for help
CAS Registry No. 945531-77-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL1773683
DrugBank Ligand DB12888
GtoPdb PubChem SID 434122170
PubChem CID 25109292
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UniChem Compound Search for chemical match using the InChIKey KSGCNXAZROJSNW-UHFFFAOYSA-N
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