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Compound Detail

CHEMBL5182929

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O=C(CCn1ccccc1=O)NCc1ccccc1

Basic Information

ChEMBL ID CHEMBL5182929
Phase Preclinical
Structure Type MOL
InChI Key LQBXXGYUJLDSIH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
1.55
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2O2
MW 256.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.71

Activity Summary

Ki 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome component C5
CHEMBL4208
Ki 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34838650 10.1016/j.bmcl.2021.128478 Proteasome component C5 1

Data from ChEMBL 36 via Core Engine