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Compound Detail

CHEMBL272906

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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)O)B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272906
Phase Preclinical
Structure Type MOL
InChI Key FNPUFSWPJDYPRV-USWWRNFRSA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23BN4O5
MW 338.17

Activity Summary

IC50 4 meas. best 7.92
EC50 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.92 7.25 12.0 4
Unchecked
CHEMBL612545
 EC50 5.87 5.87 1353.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 12.0 nM 7.92 Inhibition of chymotrypsin-like activity of 20S proteasome using suc-LLVY-AMC as... 21634429
Unchecked IC50 = 25.0 nM 7.6 Inhibition of chymotrypsin-like activity of 20S proteasome using suc-LLVY-AMC as... 21634429
Unchecked IC50 = 42.0 nM 7.38 Inhibition of chymotrypsin-like activity of human erythrocyte 20S proteasome 18247547
Unchecked IC50 = 790.0 nM 6.1 Inhibition of intracellular chymotrypsin-like activity of 20S proteasome in huma... 21634429
Unchecked EC50 = 1353.0 nM 5.87 Inhibition of chymotrypsin-like activity of human 20S proteasome in Molt4 cells 18247547

Literature References

PubMed DOI Target Context # Activities
21634429 10.1021/jm200460q Unchecked 6
18247547 10.1021/jm7010589 Unchecked 3
18247547 10.1021/jm7010589 A2780 1
21634429 10.1021/jm200460q ADMET 1

Data from ChEMBL 36 via Core Engine