Compound Detail
CHEMBL5431014
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CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc4c(c3)CCNC4)c2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5431014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSUMERAOZKVEGF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
475.4
MW (Da)
4.96
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 28 CHEMBL2157853 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| LS174T CHEMBL614097 | IC50 | 4.7 | 4.7 | 19900.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.62 | 4.62 | 24250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 28 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of USP28 (149 to 703 residues) (unknown origin) expressed in Escheric... | 37075624 |
| Ubiquitin carboxyl-terminal hydrolase 28 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of wild type UP28 (unknown origin) (1 to 651 residues) expressed in E... | 38262120 |
| LS174T | IC50 | = | 19900.0 | nM | 4.7 | Antiproliferative activity against human LS174T cells assessed as cell growth in... | 37075624 |
| HCT-116 | IC50 | = | 24250.0 | nM | 4.62 | 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 | HCT-116 | 3 |
| 37075624 | 10.1016/j.ejmech.2023.115369 | Ubiquitin carboxyl-terminal hydrolase 25 | 2 |
| 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