Compound Detail
CHEMBL5187265
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Basic Information
| ChEMBL ID | CHEMBL5187265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRMXRSPDEBHVSW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
2.67
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues)... | 36351184 |
| Histone deacetylase 1 | IC50 | = | 2410.0 | nM | 5.62 | Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 resid... | 36351184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36351184 | 10.1021/acs.jmedchem.2c01418 | Histone deacetylase 1 | 1 |
| 36351184 | 10.1021/acs.jmedchem.2c01418 | Histone deacetylase 6 | 1 |
| 36351184 | 10.1021/acs.jmedchem.2c01418 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine