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Compound Detail

CHEMBL376906

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CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](NC(=O)CCC2=CC3=Cc4c(C)cc(C)n4[B-](F)(F)[N+]3=C2)[C@H](C)[C@@H](O)[C@]1(C)O

Basic Information

ChEMBL ID CHEMBL376906
Phase Preclinical
Structure Type MOL
InChI Key VDKFQIUTLIMQLE-QSXLEGLKSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1009.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C51H83BF2N4O13
MW 1009.05

Activity Summary

IC50 1 meas. best 5.82
Kd 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Escherichia coli
CHEMBL354
Kd 7.52 7.52 30.0 1
Escherichia coli
CHEMBL354
IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16309904 10.1016/j.bmcl.2005.11.028 Escherichia coli 2

Data from ChEMBL 36 via Core Engine