Compound Detail
CHEMBL5280865
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Basic Information
| ChEMBL ID | CHEMBL5280865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTRSIWZLHCNPNE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
2.44
ALogP
5
HBA
2
HBD
103.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 5 CHEMBL6158 | Kd | 4.68 | 4.68 | 21000.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | Kd | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 5 | Kd | = | 21000.0 | nM | 4.68 | Binding affinity to biotinylated USP5 zinc finger ubiquitin binding domain (171 ... | 34648286 |
| Histone deacetylase 6 | Kd | = | 70000.0 | nM | 4.16 | Binding affinity to biotinylated HDAC6 zinc finger ubiquitin binding domain (110... | 34648286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Ubiquitin carboxyl-terminal hydrolase 5 | 1 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Histone deacetylase 6 | 1 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine