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Compound Detail

CHEMBL5573016

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O=C(N[C@H](B(O)O)C1CCCCC1)c1cn(C2CCCCC2)nn1

Basic Information

ChEMBL ID CHEMBL5573016
Phase Preclinical
Structure Type MOL
InChI Key SSGADSLNPZAYBK-HNNXBMFYSA-N
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names

Molecular Properties

334.2
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27BN4O3
MW 334.23

Activity Summary

IC50 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome subunit beta type-9
CHEMBL1944495
IC50 8.0 8.0 10.0 1
Proteasome subunit beta type-8
CHEMBL5620
IC50 6.59 6.59 257.0 1
Proteasome Macropain subunit MB1
CHEMBL4662
IC50 4.35 4.35 44613.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 99.0 mL.min-1.g-1 Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38906067 10.1016/j.bmc.2024.117790 ADMET 4
38906067 10.1016/j.bmc.2024.117790 Unchecked 3
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 Plasma 1

Data from ChEMBL 36 via Core Engine