Compound Detail
CHEMBL5596769
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Basic Information
| ChEMBL ID | CHEMBL5596769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMHBITHYHHPXIC-YHARCJFQSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
580.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| NCI-H1581 CHEMBL1075516 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| EBC-1 CHEMBL4296411 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 210.0 | nM | 6.68 | Antiproliferative activity against human HCT-116 cells incubated for 48 hrs by M... | 38851056 |
| NCI-H1581 | IC50 | = | 260.0 | nM | 6.58 | Antiproliferative activity against human NCI-H1581 cells incubated for 48 hrs by... | 38851056 |
| EBC-1 | IC50 | = | 640.0 | nM | 6.19 | Antiproliferative activity against human EBC-1 cells incubated for 48 hrs by MTT... | 38851056 |
| Histone deacetylase 1 | IC50 | = | 770.0 | nM | 6.11 | Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincu... | 38851056 |
| Histone deacetylase 6 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincu... | 38851056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38851056 | 10.1016/j.ejmech.2024.116541 | HCT-116 | 19 |
| 38851056 | 10.1016/j.ejmech.2024.116541 | Histone deacetylase 6 | 4 |
| 38851056 | 10.1016/j.ejmech.2024.116541 | Class 1 histone deacetylase | 2 |
| 38851056 | 10.1016/j.ejmech.2024.116541 | EBC-1 | 1 |
| 38851056 | 10.1016/j.ejmech.2024.116541 | NCI-H1581 | 1 |
| 38851056 | 10.1016/j.ejmech.2024.116541 | Histone deacetylase 1 | 1 |
| 38851056 | 10.1016/j.ejmech.2024.116541 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine