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Compound Detail

CHEMBL127764

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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C=O

Basic Information

ChEMBL ID CHEMBL127764
Phase Preclinical
Structure Type MOL
InChI Key DEHVKBXGPDQVAQ-SFTDATJTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
2.82
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O5
MW 424.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.02

Activity Summary

Ki 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome
CHEMBL612443
Ki 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proteasome Ki = 1400.0 nM 5.85 Inhibitory constant for the inactivation of the chymotrypsin like activity of pr... 9871688

Literature References

PubMed DOI Target Context # Activities
9871688 10.1016/s0960-894x(98)00030-4 Proteasome 1

Data from ChEMBL 36 via Core Engine