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Compound Detail

CHEMBL5429323

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CC(C)C[C@H](NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429323
Phase Preclinical
Structure Type MOL
InChI Key PQPBBIRVUPXCES-LBPRGKRZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.1
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19BF6N2O4
MW 428.14

Activity Summary

IC50 2 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
20S proteasome
CHEMBL3831201
 IC50 8.28 8.28 5.2 1
RPMI-8226
CHEMBL614882
 IC50 7.74 7.74 18.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
20S proteasome IC50 = 5.2 nM 8.28 Inhibition of human 20S proteasome chymotrypsin-like activity using Suc-Leu-Leu-... 36806958
RPMI-8226 IC50 = 18.4 nM 7.74 Cytotoxicity against human RPMI-8226 cells assessed as inhibition of cell prolif... 36806958

Literature References

PubMed DOI Target Context # Activities
36806958 10.1016/j.ejmech.2023.115187 20S proteasome 1
36806958 10.1016/j.ejmech.2023.115187 RPMI-8226 1

Data from ChEMBL 36 via Core Engine