Compound Detail
CHEMBL5193563
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Basic Information
| ChEMBL ID | CHEMBL5193563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTLPSCUZQRKXJR-IYBDPMFKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
3.55
ALogP
4
HBA
2
HBD
55.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of HDAC6 (unknown origin) | 35148101 |
| Histone deacetylase 1 | IC50 | = | 11400.0 | nM | 4.94 | Inhibition of HDAC1 (unknown origin) | 35148101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35148101 | 10.1021/acs.jmedchem.1c02067 | Histone deacetylase 1 | 1 |
| 35148101 | 10.1021/acs.jmedchem.1c02067 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine