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Compound Detail

CHEMBL279186

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CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

Basic Information

ChEMBL ID CHEMBL279186
Phase Preclinical
Structure Type MOL
InChI Key WANZLOHBSCCQHB-SLAALTIPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

1025.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H84N6O13
MW 1025.29

Activity Summary

Ki 1 meas. best 4.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome Macropain subunit PRE2
CHEMBL4659
Ki 4.41 4.41 39000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proteasome Macropain subunit PRE2 Ki = 39000.0 nM 4.41 Inhibition of chymotrypsin like activity of yeast 20S proteasome 16630721

Literature References

PubMed DOI Target Context # Activities
16630721 10.1016/j.bmcl.2006.03.033 Proteasome Macropain subunit PRE2 1
16630721 10.1016/j.bmcl.2006.03.033 Proteasome Macropain subunit 1
16630721 10.1016/j.bmcl.2006.03.033 Proteasome component C5 1

Data from ChEMBL 36 via Core Engine