contezolid   Click here for help

GtoPdb Ligand ID: 10795

Synonyms: MRX-1 | MRX-I
PDB Ligand
Compound class: Synthetic organic
Comment: Contezolid is an oxazolidinone antibiotic against Gram-positive pathogens [1], including methicillin-resistant Staphylococcus aureus (MRSA), penicillin-resistant Streptococcus pneumoniae, penicillin-intermediate S. pneumoniae (PISP), and vancomycin-resistant enterococci (VRE). Its orally delivered prodrug is contezolid acefosamil (parent) (MRX-4). Contezolid targets protein synthesis by binding to the V region of the bacterial 23S rRNA.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 87.91
Molecular weight 408.1
XLogP 2.44
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CNc1ccon1
Isomeric SMILES O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CNc1ccon1
InChI InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Prodrug contezolid acefosamil (parent)
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10775 contezolid
Synonyms Click here for help
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 165
Other databases
BindingDB Ligand 50017203
CAS Registry No. 1112968-42-9 (source: WHO INN record)
ChEMBL Ligand CHEMBL3287379
GtoPdb PubChem SID 405560236
PubChem CID 1112968-42-9
Search Google for chemical match using the InChIKey SULYVXZZUMRQAX-NSHDSACASA-N
Search Google for chemicals with the same backbone SULYVXZZUMRQAX
Search PubMed clinical trials contezolid
Search PubMed titles contezolid
Search PubMed titles/abstracts contezolid
Search UniChem for chemical match using the InChIKey SULYVXZZUMRQAX-NSHDSACASA-N
Search UniChem for chemicals with the same backbone SULYVXZZUMRQAX