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Compound Detail

CHEMBL490055

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CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cccc2ccccc12)B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490055
Phase Preclinical
Structure Type MOL
InChI Key YTOBIBVCJFPUEV-IRXDYDNUSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

328.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25BN2O3
MW 328.22

Activity Summary

IC50 3 meas. best 7.58
Ki 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 8.12 8.12 7.6 1
Unchecked
CHEMBL612545
 IC50 7.58 7.1067 26.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 7.586 nM 8.12 Inhibition of SDS-activated 20S proteasome activity in rabbit muscle 18771818
Unchecked IC50 = 26.0 nM 7.58 Inhibition of chymotrypsin-like activity of 20S proteasome using suc-LLVY-AMC as... 21634429
Unchecked IC50 = 120.0 nM 6.92 Inhibition of chymotrypsin-like activity of 20S proteasome using suc-LLVY-AMC as... 21634429
Unchecked IC50 = 150.0 nM 6.82 Inhibition of intracellular chymotrypsin-like activity of 20S proteasome in huma... 21634429

Literature References

PubMed DOI Target Context # Activities
21634429 10.1021/jm200460q Unchecked 6
18771818 10.1016/j.ejmech.2008.07.019 Unchecked 1
21634429 10.1021/jm200460q ADMET 1

Data from ChEMBL 36 via Core Engine