Compound Detail
CHEMBL5632247
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Basic Information
| ChEMBL ID | CHEMBL5632247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUEJXGYPNGKIRG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.8
MW (Da)
1.98
ALogP
7
HBA
3
HBD
98.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of recombinant HDAC6 (unknown origin) using RHKK-Ac-AMC as substrate | 37633202 |
| Histone deacetylase 1 | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of recombinant HDAC1 (unknown origin) using RHKK-Ac-AMC as substrate | 37633202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37633202 | 10.1016/j.ejmech.2023.115730 | Histone deacetylase 1 | 1 |
| 37633202 | 10.1016/j.ejmech.2023.115730 | Histone deacetylase 4 | 1 |
| 37633202 | 10.1016/j.ejmech.2023.115730 | Histone deacetylase 6 | 1 |
| 37633202 | 10.1016/j.ejmech.2023.115730 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine