Compound Detail
CHEMBL385238
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Basic Information
| ChEMBL ID | CHEMBL385238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNHPYEJPCJWNMZ-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
422.9
MW (Da)
3.78
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of HDAC1 (mean IC50) | 16987657 |
| HeLa | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of HeLa cell proliferation | 16987657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16987657 | 10.1016/j.bmcl.2006.09.002 | Histone deacetylase 1 | 1 |
| 16987657 | 10.1016/j.bmcl.2006.09.002 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine