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Compound Detail

CHEMBL2325141

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NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](Cn4cc(CNC(=O)COc5ccc6sc(CNc7nncc(-c8c(Cl)cccc8Cl)n7)nc6c5)nn4)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL2325141
Phase Preclinical
Structure Type MOL
InChI Key QNDUKFPYTHQWQZ-MRVUHWHESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1008.9
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H51Cl2N13O12S
MW 1008.90

Activity Summary

IC50 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.01 7.01 98.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 98.0 nM 7.01 Inhibition of Escherichia coli HldE-kinase preincubated for 30 mins prior to sub... 23445125

Literature References

PubMed DOI Target Context # Activities
23445125 10.1021/jm400097h Escherichia coli 4
23445125 10.1021/jm400097h Unchecked 1

Data from ChEMBL 36 via Core Engine