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Compound Detail

CHEMBL4852689

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Cn1c(C#N)nc2cccc(Cl)c21

Basic Information

ChEMBL ID CHEMBL4852689
Phase Preclinical
Structure Type MOL
InChI Key LANNBPKLWYVWKZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

191.6
MW (Da)
2.10
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6ClN3
MW 191.62
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome subunit beta type-8
CHEMBL5620
IC50 4.7 4.7 20000.0 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
33894528 10.1016/j.ejmech.2021.113455 Proteasome Macropain subunit MB1 1

Data from ChEMBL 36 via Core Engine