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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1257051
CHEMBL1257051
Compound Name TEDIZOLID
ChEMBL Synonyms TEDIZOLID | TOREZOLID | TR-700
Max Phase 4 (Approved)
Trade Names
Molecular Formula C17H15FN6O3

Additional synonyms for CHEMBL1257051 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[C@H](CO)OC4=O
Standard InChI InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15) ...
Download InChI
Standard InChI Key XFALPSLJIHVRKE-GFCCVEGCSA-N

Sources

  • British National Formulary
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1257051

Molecule Features

CHEMBL1257051 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
SKIN DISEASESD012871EFO:0000701SKIN DISEASE3ClinicalTrials

Clinical Data

ClinicalTrials.gov TEDIZOLID
The Cochrane Collaboration TEDIZOLID

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1257051. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL240 HERG Homo sapiens 0.237

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
370.3 370.119 1.78 4 106.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 9 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.04 1.69 1.69 3 27 0.75

Structural Alerts

There are no structural alerts for CHEMBL1257051

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01X - OTHER ANTIBACTERIALS
J01XX - Other antibacterials
J01XX11 - tedizolid

ChemSpider ChemSpider:XFALPSLJIHVRKE-GFCCVEGCSA-N
Wikipedia Torezolid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1257051



ChEBI 82717
EPA CompTox Dashboard DTXSID10234975
FDA SRS 97HLQ82NGL
IBM Patent System 45960D14CE8FD02D3EF5A0D35D0D3864
Metabolights MTBLC82717
MolPort MolPort-042-624-220
Nikkaji J3.050.870J
PubChem 11234049
PubChem: Thomson Pharma 16317950
SureChEMBL SCHEMBL440398
ZINC ZINC000043100956

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XFALPSLJIHVRKE-GFCCVEGCSA-N spacer
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