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Compound Detail

CHEMBL4437785

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CC(C)C[C@H](NC(=O)c1cn(C2CCCCC2)nn1)B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4437785
Phase Preclinical
Structure Type MOL
InChI Key CZNHJEDLONNLAH-ZDUSSCGKSA-N
5
Targets
11
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

308.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H25BN4O3
MW 308.19

Activity Summary

IC50 11 meas. best 9.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.07 6.7871 0.8 7
Proteasome subunit beta type-9
CHEMBL1944495
 IC50 8.52 8.52 3.0 1
Proteasome subunit beta type-8
CHEMBL5620
 IC50 7.14 7.14 73.0 1
Proteasome Macropain subunit MB1
CHEMBL4662
 IC50 5.49 5.49 3221.0 1
PBMC
CHEMBL613107
 IC50 5.14 5.14 7300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.85 nM 9.07 Inhibition of human 20S proteasome beta 1i 31283222
Proteasome subunit beta type-9 IC50 = 3.0 nM 8.52 Inhibition of human LMP2 beta-1i subunit using Ac-PAL-AMC as substrate preincuba... 38906067
Unchecked IC50 = 4.1 nM 8.39 Inhibition of human 20S proteasome beta 5i preincubated for 1 hr followed by flu... 31283222
Unchecked IC50 = 60.0 nM 7.22 Inhibition of 20S proteasome beta 5i/20S proteasome beta 1i in human PBMC cell l... 31283222
Proteasome subunit beta type-8 IC50 = 73.0 nM 7.14 Inhibition of human LMP7 beta -5i subunit using Ac-ANW-AMC as substrate preincub... 38906067
Unchecked IC50 = 480.0 nM 6.32 Inhibition of 20S proteasome beta 1c derived from human erythrocytes preincubate... 31283222
Unchecked IC50 = 2900.0 nM 5.54 Inhibition of 20S proteasome beta 5c (unknown origin) preincubated for 1 hr foll... 31283222
Unchecked IC50 = 2900.0 nM 5.54 Cytotoxicity against human plasmablasts assessed as reduction in cell viability ... 31283222
Proteasome Macropain subunit MB1 IC50 = 3221.0 nM 5.49 Inhibition of human 20S proteosome beta5c subunit using Ac-WLA-AMC as substrate ... 38906067
Unchecked IC50 = 3700.0 nM 5.43 Cytotoxicity against human pDC assessed as reduction in cell viability by CellTi... 31283222
PBMC IC50 = 7300.0 nM 5.14 Cytotoxicity against human PBMC cells assessed as reduction in cell viability by... 31283222

Literature References

PubMed DOI Target Context # Activities
31283222 10.1021/acs.jmedchem.9b00509 Unchecked 11
38906067 10.1016/j.bmc.2024.117790 Unchecked 2
31283222 10.1021/acs.jmedchem.9b00509 PBMC 1
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 ADMET 1

Data from ChEMBL 36 via Core Engine