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Compound Detail

CHEMBL5566972

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O=C(N[C@@H](Cc1ccccc1)B(O)O)c1cn(C2CCCCC2)nn1

Basic Information

ChEMBL ID CHEMBL5566972
Phase Preclinical
Structure Type MOL
InChI Key AJYHWJQROXMRFQ-INIZCTEOSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

342.2
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23BN4O3
MW 342.21

Activity Summary

IC50 3 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome subunit beta type-9
CHEMBL1944495
IC50 8.3 8.3 5.0 1
Proteasome subunit beta type-8
CHEMBL5620
IC50 8.1 8.1 8.0 1
Proteasome Macropain subunit MB1
CHEMBL4662
IC50 6.52 6.52 302.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38906067 10.1016/j.bmc.2024.117790 Proteasome subunit beta type-8 1
38906067 10.1016/j.bmc.2024.117790 Proteasome subunit beta type-9 1
38906067 10.1016/j.bmc.2024.117790 Proteasome Macropain subunit MB1 1
38906067 10.1016/j.bmc.2024.117790 Unchecked 1
38906067 10.1016/j.bmc.2024.117790 ADMET 1

Data from ChEMBL 36 via Core Engine