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Compound Detail

CHEMBL4459175

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NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CSCCNC(=S)NCCCCCCNC(=O)CCCc2ccc3ccc4cccc5ccc2c3c45)[C@H](N)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459175
Phase Preclinical
Structure Type MOL
InChI Key VTPHIIBGXJKLLV-XQZNBYCCSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

1102.4
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H79N9O13S2
MW 1102.39

Activity Summary

IC50 6 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.75 6.75 180.0 1
Ribosomal RNA A-site
CHEMBL614640
 IC50 6.67 6.632 212.6 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 180.0 nM 6.75 Displacement of F-NEO from human mitochondrial rRNA-A site C1410U mutant after 1... 30530174
Ribosomal RNA A-site IC50 = 212.6 nM 6.67 Binding affinity to rRNA-A site in Escherichia coli S30 extract assessed as inhi... 30530174
Ribosomal RNA A-site IC50 = 212.6 nM 6.67 Binding affinity to rRNA-A site in human MDA-MB-231 cells assessed as inhibition... 30530174
Ribosomal RNA A-site IC50 = 235.0 nM 6.63 Displacement of F-NEO from human mitochondrial rRNA-A site after 10 to 20 mins b... 30530174
Ribosomal RNA A-site IC50 = 252.0 nM 6.6 Displacement of F-NEO from human cytosolic rRNA-A site after 10 to 20 mins by fl... 30530174
Ribosomal RNA A-site IC50 = 254.0 nM 6.59 Displacement of F-NEO from Escherichia coli rRNA-A site after 10 to 20 mins by f... 30530174

Literature References

PubMed DOI Target Context # Activities
30530174 10.1016/j.ejmech.2018.11.022 Staphylococcus aureus 12
30530174 10.1016/j.ejmech.2018.11.022 Unchecked 10
30530174 10.1016/j.ejmech.2018.11.022 Ribosomal RNA A-site 8
30530174 10.1016/j.ejmech.2018.11.022 Escherichia coli 7
30530174 10.1016/j.ejmech.2018.11.022 Bacillus anthracis 2
30530174 10.1016/j.ejmech.2018.11.022 Mycolicibacterium smegmatis 2
30530174 10.1016/j.ejmech.2018.11.022 Streptococcus pyogenes 2
30530174 10.1016/j.ejmech.2018.11.022 Staphylococcus epidermidis 2
30530174 10.1016/j.ejmech.2018.11.022 Listeria monocytogenes 1
30530174 10.1016/j.ejmech.2018.11.022 Enterococcus faecium 1
30530174 10.1016/j.ejmech.2018.11.022 Enterococcus faecalis 1
30530174 10.1016/j.ejmech.2018.11.022 Acinetobacter baumannii 1
30530174 10.1016/j.ejmech.2018.11.022 Pseudomonas aeruginosa 1
30530174 10.1016/j.ejmech.2018.11.022 Klebsiella oxytoca 1
30530174 10.1016/j.ejmech.2018.11.022 Klebsiella pneumoniae 1

Data from ChEMBL 36 via Core Engine