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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL455461
CHEMBL455461
Compound Name RADEZOLID
ChEMBL Synonyms AND RX-01_667 | RX-01_667 | RADEZOLID | RADEZOLID HYDROCHLORIDE | RX-1741 | RX-O1_667 | RX-103
Max Phase 2
Trade Names
Molecular Formula C22H23FN6O3

Additional synonyms for CHEMBL455461 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CNCc4cnn[nH]4)cc ...
Download SMILES
Standard InChI InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18- ...
Download InChI
Standard InChI Key BTTNOGHPGJANSW-IBGZPJMESA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL455461

Molecule Features

CHEMBL455461 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PNEUMONIAD011014EFO:0003106PNEUMONIA2ClinicalTrials

Clinical Data

ClinicalTrials.gov RADEZOLID
The Cochrane Collaboration RADEZOLID

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 CHEMBL455461. 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.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL244 Coagulation factor X Homo sapiens 0.679

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5062 Coagulation factor X Oryctolagus cuniculus 1.000
CHEMBL244 Coagulation factor X Homo sapiens 0.940

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
438.5 438.1816 1.74 8 112.24 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.2 1.08 -1.12 3 32 0.49

Structural Alerts

There are no structural alerts for CHEMBL455461

Compound Cross References

ChemSpider ChemSpider:BTTNOGHPGJANSW-IBGZPJMESA-N
Wikipedia Radezolid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL455461



ACToR 869884-78-6
Brenda 169748
DrugBank DB12339
FDA SRS 53PC6LO35W
IBM Patent System D20C2DE53DA9168B151B36D7BE7F3386
PubChem 11224409
PubChem: Drugs of the Future 85197659
PubChem: Thomson Pharma 16307705 17426976
SureChEMBL SCHEMBL1035776
ZINC ZINC000040379938

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