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Compound Detail

CHEMBL407947

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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](C)O)B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407947
Phase Preclinical
Structure Type MOL
InChI Key ONNBBCPVOWAGSI-XPGWFJOJSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29BN2O5
MW 412.30

Activity Summary

IC50 3 meas. best 9.05
EC50 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.05 7.635 0.9 2
A2780
CHEMBL614004
 IC50 8.31 8.31 4.9 1
Unchecked
CHEMBL612545
 EC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.9 nM 9.05 Inhibition of chymotrypsin-like activity of human erythrocyte 20S proteasome 18247547
A2780 IC50 = 4.9 nM 8.31 Cytotoxicity against human A2780 cells 18247547
Unchecked EC50 = 21.0 nM 7.68 Inhibition of chymotrypsin-like activity of human 20S proteasome in Molt4 cells 18247547
Unchecked IC50 = 600.0 nM 6.22 Inhibition of bovine alpha chymotrypsin 18247547

Literature References

PubMed DOI Target Context # Activities
18247547 10.1021/jm7010589 Unchecked 3
18247547 10.1021/jm7010589 A2780 1

Data from ChEMBL 36 via Core Engine