Compound Detail
CHEMBL5426708
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Basic Information
| ChEMBL ID | CHEMBL5426708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KICWUCVHRSAASF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
443.9
MW (Da)
2.73
ALogP
6
HBA
1
HBD
101.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 16 CHEMBL4630865 | Kd | 5.31 | 5.31 | 4900.0 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 5 CHEMBL6158 | Kd | 5.2 | 5.2 | 6300.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | Kd | 4.5 | 4.49 | 32000.0 | 2 |
| Ubiquitin carboxyl-terminal hydrolase 3 CHEMBL5291515 | Kd | 4.33 | 4.33 | 47000.0 | 1 |
| BRCA1-associated protein CHEMBL5291566 | Kd | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 16 | Kd | = | 4900.0 | nM | 5.31 | Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged USP16 (25 t... | 37499118 |
| Ubiquitin carboxyl-terminal hydrolase 5 | Kd | = | 6300.0 | nM | 5.2 | Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged USP5 (171 t... | 37499118 |
| Histone deacetylase 6 | Kd | = | 32000.0 | nM | 4.5 | Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged HDAC6 UBD (... | 37499118 |
| Histone deacetylase 6 | Kd | = | 33000.0 | nM | 4.48 | Binding affinity to N-terminal His-tagged HDAC6 UBD (1109 to 1213 residues) (unk... | 37499118 |
| Ubiquitin carboxyl-terminal hydrolase 3 | Kd | = | 47000.0 | nM | 4.33 | Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged USP3 (1 to ... | 37499118 |
| BRCA1-associated protein | Kd | = | 92000.0 | nM | 4.04 | Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged BRAP (304 t... | 37499118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Histone deacetylase 6 | 8 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Unchecked | 2 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Ubiquitin carboxyl-terminal hydrolase 3 | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Ubiquitin carboxyl-terminal hydrolase 5 | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Ubiquitin carboxyl-terminal hydrolase 13 | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Ubiquitin carboxyl-terminal hydrolase 16 | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Ubiquitin carboxyl-terminal hydrolase 20 | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Ubiquitin carboxyl-terminal hydrolase 33 | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Ubiquitin carboxyl-terminal hydrolase 39 | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Ubiquitin carboxyl-terminal hydrolase 49 | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Ubiquitin carboxyl-terminal hydrolase 51 | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | BRCA1-associated protein | 1 |
| 37499118 | 10.1021/acs.jmedchem.3c00314 | HDAC6-ISG15 | 1 |
Data from ChEMBL 36 via Core Engine