Compound Detail
CHEMBL5412490
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Basic Information
| ChEMBL ID | CHEMBL5412490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICBFKGWSVGIEND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.8
MW (Da)
1.36
ALogP
6
HBA
2
HBD
110.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | Kd | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | Kd | = | 1600.0 | nM | 5.8 | Binding affinity to N-terminal His-tagged HDAC6 UBD (1109 to 1213 residues) (unk... | 37499118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37499118 | 10.1021/acs.jmedchem.3c00314 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine