Compound Detail
CHEMBL235210
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Basic Information
| ChEMBL ID | CHEMBL235210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAGOMVKUBSQNCD-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.26
ALogP
4
HBA
2
HBD
64.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Histone deacetylase CHEMBL2093865 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.7 | 6.7 | 200.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human recombinant HDAC1 | 17941625 |
| Histone deacetylase 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of recombinant HDAC1 | 20223566 |
| Histone deacetylase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of HDAC in 293T cells | 17941625 |
| Histone deacetylase 2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant HDAC2 | 17941625 |
| Histone deacetylase 2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of recombinant HDAC2 | 20223566 |
| HCT-116 | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human HCT116 cells by MTT assay | 17941625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17941625 | 10.1021/jm701079h | Histone deacetylase 1 | 2 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 2 | 2 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 3 | 2 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 8 | 2 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase | 1 |
| 17941625 | 10.1021/jm701079h | HCT-116 | 1 |
| 17941625 | 10.1021/jm701079h | ADMET | 1 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 4 | 1 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 5 | 1 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 6 | 1 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 7 | 1 |
| 20223566 | 10.1016/j.ejmech.2010.02.030 | Histone deacetylase 8 | 1 |
| 20223566 | 10.1016/j.ejmech.2010.02.030 | Histone deacetylase 6 | 1 |
| 20223566 | 10.1016/j.ejmech.2010.02.030 | Histone deacetylase 3 | 1 |
| 20223566 | 10.1016/j.ejmech.2010.02.030 | Histone deacetylase 2 | 1 |
| 20223566 | 10.1016/j.ejmech.2010.02.030 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine