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Compound Detail

CHEMBL5402874

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CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3cccc(CN)c3)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5402874
Phase Preclinical
Structure Type MOL
InChI Key AEFZBIMHEUWDHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.4
MW (Da)
4.77
ALogP
4
HBA
2
HBD
89.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18Cl2N2O3S
MW 449.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 28
CHEMBL2157853
 IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ubiquitin carboxyl-terminal hydrolase 28 IC50 = 150.0 nM 6.82 Inhibition of USP28 (149 to 703 residues) (unknown origin) expressed in Escheric... 37075624

Literature References

PubMed DOI Target Context # Activities
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase 28 2

Data from ChEMBL 36 via Core Engine