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Compound Detail

CHEMBL175460

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CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)/N=C/c1ccccc1B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175460
Phase Preclinical
Structure Type MOL
InChI Key TWVCHZFMGNMUKC-OCSSWDANSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

516.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33BN4O5
MW 516.41

Activity Summary

IC50 3 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.55 4.55 27900.0 1
B16
CHEMBL381
 IC50 4.35 4.265 45100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 27900.0 nM 4.55 Inhibitory concentration of the compound was determined against L1210 cells 15634028
B16 IC50 = 45100.0 nM 4.35 Inhibitory concentration of the compound was determined against melanocyte Mel-A... 15634028
B16 IC50 = 65500.0 nM 4.18 Inhibitory concentration of the compound was determined against melanoma B16 cel... 15634028

Literature References

PubMed DOI Target Context # Activities
15634028 10.1021/jm049455f B16 2
15634028 10.1021/jm049455f Proteasome 1
15634028 10.1021/jm049455f L1210 1

Data from ChEMBL 36 via Core Engine