Compound Detail
CHEMBL5611957
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Basic Information
| ChEMBL ID | CHEMBL5611957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPPDFJJHYRWMHD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.01
ALogP
6
HBA
2
HBD
97.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.78 | 6.78 | 168.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.47 | 5.47 | 3394.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 168.0 | nM | 6.78 | Inhibition of N-terminal GST tagged full length human recombinant HDAC6 (1 to 12... | 39256214 |
| Histone deacetylase 1 | IC50 | = | 3394.0 | nM | 5.47 | Inhibition of C-terminal 6His/FLAG tagged full length human recombinant HDAC1 (1... | 39256214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39256214 | 10.1021/acs.jmedchem.4c01367 | Histone deacetylase 1 | 1 |
| 39256214 | 10.1021/acs.jmedchem.4c01367 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine