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Compound Detail

CHEMBL3319605

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CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3319605
Phase Preclinical
Structure Type MOL
InChI Key OHYPIFPQEYUPDQ-RLSLOFABSA-N
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

484.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H48N2O5Si
MW 484.75

Activity Summary

IC50 8 meas. best 6.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome subunit beta type-9
CHEMBL1944495
 IC50 6.98 6.915 104.0 2
Unchecked
CHEMBL612545
 IC50 5.67 5.245 2140.0 2
RPMI-8226
CHEMBL614882
 IC50 5.67 5.67 2140.0 1
NCI-H23
CHEMBL614997
 IC50 5.47 5.47 3370.0 1
NCI-H727
CHEMBL1075545
 IC50 5.28 5.28 5210.0 1
Proteasome subunit beta type-10
CHEMBL3317334
 IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proteasome subunit beta type-9 IC50 = 104.0 nM 6.98 Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxo... 25006746
Proteasome subunit beta type-9 IC50 = 140.0 nM 6.85 Inhibition of purified human 20S immunoproteasome beta1 subunit using Ac-Pro-Ala... 30964987
RPMI-8226 IC50 = 2140.0 nM 5.67 Cytotoxicity against human RPMI8226 cells after 72 hrs by CellTiter 96 AQueous o... 30964987
Unchecked IC50 = 2140.0 nM 5.67 Cytotoxicity against human RPMI8226/Cfzr cells after 72 hrs by CellTiter 96 AQue... 30964987
NCI-H23 IC50 = 3370.0 nM 5.47 Cytotoxicity against human NCI-H23 cells after 72 hrs by CellTiter 96 AQueous on... 30964987
NCI-H727 IC50 = 5210.0 nM 5.28 Cytotoxicity against human NCI-H727 cells after 72 hrs by CellTiter 96 AQueous o... 30964987
Unchecked IC50 = 15000.0 nM 4.82 Inhibition of 20s proteasome subunit beta-1c in human Raji cells using BODIPY- e... 25006746
Proteasome subunit beta type-10 IC50 = 25000.0 nM 4.6 Inhibition of proteasome subunit beta-2i in human Raji cells using BODIPY- epoxo... 25006746

Literature References

PubMed DOI Target Context # Activities
30964987 10.1021/acs.jmedchem.8b01943 Unchecked 5
25006746 10.1021/jm500716s Unchecked 3
25006746 10.1021/jm500716s Proteasome subunit beta type-9 1
25006746 10.1021/jm500716s Proteasome subunit beta type-10 1
30964987 10.1021/acs.jmedchem.8b01943 NCI-H23 1
30964987 10.1021/acs.jmedchem.8b01943 NCI-H727 1
30964987 10.1021/acs.jmedchem.8b01943 RPMI-8226 1
30964987 10.1021/acs.jmedchem.8b01943 Proteasome Macropain subunit MB1 1
30964987 10.1021/acs.jmedchem.8b01943 Proteasome subunit beta type-9 1

Data from ChEMBL 36 via Core Engine