Compound Detail
CHEMBL125416
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Basic Information
| ChEMBL ID | CHEMBL125416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICFCPTJGLMKNHK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
5.50
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 60.0 | nM | 7.22 | In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells. | 14592473 |
| Unchecked | IC50 | = | 60.0 | nM | 7.22 | Inhibition of HDAC | 18053726 |
| NON-PROTEIN TARGET | IC50 | = | 50000.0 | nM | 4.3 | Anti-proliferative activity against MDA-435 cells mediated by HDAC inhibition | 14592473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14592473 | 10.1016/j.bmcl.2003.09.007 | Histone deacetylase | 1 |
| 14592473 | 10.1016/j.bmcl.2003.09.007 | NON-PROTEIN TARGET | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine