Compound Detail
CHEMBL4159041
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Basic Information
| ChEMBL ID | CHEMBL4159041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIZBWAFXECHGEM-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.24
ALogP
7
HBA
3
HBD
96.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 28 CHEMBL2157853 | IC50 | 5.96 | 5.96 | 1100.0 | 2 |
| Ubiquitin carboxyl-terminal hydrolase 25 CHEMBL4295975 | IC50 | 5.7 | 5.38 | 2000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Inhibition of recombinant human His6-tagged USP28-5 (1 to 1077 residues) using U... | 29259735 |
| Ubiquitin carboxyl-terminal hydrolase 28 | IC50 | = | 1100.0 | nM | 5.96 | Biochemical Assay: USP28: Each assay was performed in a final volume of 20 μL in... | - |
| Ubiquitin carboxyl-terminal hydrolase 28 | IC50 | = | 1100.0 | nM | 5.96 | Biochemical Assay: Ubiquitin-Rhodamine 110 Assay for USP28 Activity: Each assay ... | - |
| Ubiquitin carboxyl-terminal hydrolase 25 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of recombinant human His6-tagged USP25 expressed in baculovirus infec... | 29259735 |
| Ubiquitin carboxyl-terminal hydrolase 25 | IC50 | = | 6000.0 | nM | 5.22 | Biochemical Assay: USP25: The assay was performed in a final volume of 9 μL in a... | - |
| Ubiquitin carboxyl-terminal hydrolase 25 | IC50 | = | 6000.0 | nM | 5.22 | Biochemical Assay: Ubiquitin-Rhodamine 110 Assay for USP25 Activity: The assay w... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259735 | 10.1021/acsmedchemlett.7b00449 | Ubiquitin carboxyl-terminal hydrolase 25 | 1 |
| 29259735 | 10.1021/acsmedchemlett.7b00449 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine