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Compound Detail

CHEMBL325264

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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)c1nc2ccccc2o1

Basic Information

ChEMBL ID CHEMBL325264
Phase Preclinical
Structure Type BOTH
InChI Key ATUHQZCYZCFFHL-QKDODKLFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

592.7
MW (Da)
5.41
ALogP
7
HBA
3
HBD
139.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H44N4O6
MW 592.74
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.36

Activity Summary

Ki 1 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome
CHEMBL612443
Ki 6.67 6.67 214.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proteasome Ki = 214.0 nM 6.67 Inhibitory activity against 20S Proteasome 9871680

Literature References

PubMed DOI Target Context # Activities
9871680 10.1016/s0960-894x(98)00029-8 Proteasome 1

Data from ChEMBL 36 via Core Engine