Compound Detail
CHEMBL4866882
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Basic Information
| ChEMBL ID | CHEMBL4866882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBSAYEOMBARDFZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.54
ALogP
5
HBA
3
HBD
98.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.95 | 5.95 | 1120.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 1120.0 | nM | 5.95 | Inhibition of HDAC6 (unknown origin) | 34146703 |
| Histone deacetylase 1 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of HDAC1 (unknown origin) | 34146703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34146703 | 10.1016/j.bmcl.2021.128207 | Histone deacetylase 1 | 1 |
| 34146703 | 10.1016/j.bmcl.2021.128207 | Histone deacetylase 6 | 1 |
| 34146703 | 10.1016/j.bmcl.2021.128207 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine