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Compound Detail

CHEMBL4877930

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Cn1c(=S)[nH]c2ccc(NC(=O)[C@H]3CCCN3)cc21

Basic Information

ChEMBL ID CHEMBL4877930
Phase Preclinical
Structure Type MOL
InChI Key LHXPOOPCBZTVPK-SNVBAGLBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
1.93
ALogP
4
HBA
3
HBD
61.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4OS
MW 276.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 3.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome subunit beta type-8
CHEMBL5620
IC50 3.96 3.96 109000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33894528 10.1016/j.ejmech.2021.113455 Proteasome subunit beta type-8 1

Data from ChEMBL 36 via Core Engine