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Compound Detail

CHEMBL112022

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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112022
Phase Preclinical
Structure Type BOTH
InChI Key KCZPDOXBSNGKKC-OALUTQOASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
2.17
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33N3O5
MW 419.52
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.13

Activity Summary

Ki 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome
CHEMBL612443
 Ki 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proteasome Ki = 3800.0 nM 5.42 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