sutezolid   Click here for help

GtoPdb Ligand ID: 12772

Synonyms: MMV688756 | PF-02341272 | PNU-100480 | U-100480
PDB Ligand
Compound class: Synthetic organic
Comment: Originally developed by Upjohn (later incorporated into Pfizer), sutezolid is an oxazolidinone class antibacterial with potent antimycobacterial activity [1]. It is being clinically evaluated as a treatment for tuberculosis (TB).
Sutezolid is included in the Medicines for Malaria (MMV) and Drugs for Neglected Diseases Initiative (DNDi) Pandemic Response Box.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 87.18
Molecular weight 353.41
XLogP 1.57
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)NC[C@H]1CN(C2=CC=C(C(=C2)F)N3CCSCC3)C(=O)O1
Isomeric SMILES CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCSCC3)F
InChI InChI=1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChI Key FNDDDNOJWPQCBZ-ZDUSSCGKSA-N