Compound Detail
CHEMBL5619770
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Basic Information
| ChEMBL ID | CHEMBL5619770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTFTWBYOFSGVDT-XBXARRHUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
3.26
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 6.71 | 6.71 | 196.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.71 | 6.71 | 196.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 6.71 | 6.71 | 196.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.64 | 6.64 | 231.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 196.0 | nM | 6.71 | Antiproliferative activity against human MDA-MB-231 cells | 37875056 |
| PC-3 | IC50 | = | 196.0 | nM | 6.71 | Antiproliferative activity against human PC-3 cells | 37875056 |
| SW-620 | IC50 | = | 196.0 | nM | 6.71 | Antiproliferative activity against human SW620 cells | 37875056 |
| Histone deacetylase 6 | IC50 | = | 231.0 | nM | 6.64 | Inhibition of HDAC6 (unknown origin) | 37875056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37875056 | 10.1016/j.ejmech.2023.115879 | Histone deacetylase 6 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | MDA-MB-231 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | PC-3 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | SW-620 | 1 |
Data from ChEMBL 36 via Core Engine