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Compound Detail

CHEMBL5205717

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O=C(Cc1ccccc1)N[C@@H](C[C@H]1COc2c(Cl)cccc21)B(O)O

Basic Information

ChEMBL ID CHEMBL5205717
Phase Preclinical
Structure Type MOL
InChI Key NVIDCSSIOTZCLS-BBRMVZONSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

359.6
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19BClNO4
MW 359.62

Activity Summary

IC50 3 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome subunit beta type-8
CHEMBL5620
IC50 6.21 5.61 610.0 2
Unchecked
CHEMBL612545
IC50 5.56 5.56 2750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34228444 10.1021/acs.jmedchem.1c00604 Proteasome subunit beta type-8 2
34228444 10.1021/acs.jmedchem.1c00604 Proteasome Macropain subunit MB1 2
34228444 10.1021/acs.jmedchem.1c00604 Unchecked 1

Data from ChEMBL 36 via Core Engine