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Compound Detail

CHEMBL5401467

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CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc4c(c3)CNC4)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401467
Phase Preclinical
Structure Type MOL
InChI Key FZNJOQKABIINMG-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

461.4
MW (Da)
4.92
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18Cl2N2O3S
MW 461.37
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.45

Activity Summary

IC50 4 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 28
CHEMBL2157853
 IC50 7.4 7.4 40.0 2
LS174T
CHEMBL614097
 IC50 4.61 4.61 24300.0 1
HCT-116
CHEMBL394
 IC50 4.42 4.42 38110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ubiquitin carboxyl-terminal hydrolase 28 IC50 = 40.0 nM 7.4 Inhibition of USP28 (149 to 703 residues) (unknown origin) expressed in Escheric... 37075624
Ubiquitin carboxyl-terminal hydrolase 28 IC50 = 40.0 nM 7.4 Inhibition of wild type UP28 (unknown origin) (1 to 651 residues) expressed in E... 38262120
LS174T IC50 = 24300.0 nM 4.61 Antiproliferative activity against human LS174T cells assessed as cell growth in... 37075624
HCT-116 IC50 = 38110.0 nM 4.42 Antiproliferative activity against human HCT-116 cells assessed as cell growth i... 37075624

Literature References

PubMed DOI Target Context # Activities
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase 28 7
37075624 10.1016/j.ejmech.2023.115369 LS174T 4
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase 25 3
37075624 10.1016/j.ejmech.2023.115369 HCT-116 3
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase 2 1
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase 7 1
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase 8 1
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase 9X 1
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase isozyme L3 1
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase isozyme L5 1
38262120 10.1016/j.ejmech.2024.116161 Ubiquitin carboxyl-terminal hydrolase 28 1

Data from ChEMBL 36 via Core Engine