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Compound Detail

CHEMBL4876262

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O=C(Nc1cccc2[nH]c(=S)oc12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL4876262
Phase Preclinical
Structure Type MOL
InChI Key LPYASVGPPZDENF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
3.74
ALogP
3
HBA
2
HBD
58.0
PSA (Ų)
0.70
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 C14H10N2O2S
MW 270.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 3.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome subunit beta type-8
CHEMBL5620
IC50 3.89 3.89 129000.0 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