Compound Detail
CHEMBL5291062
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Basic Information
| ChEMBL ID | CHEMBL5291062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBGRBCLMPIUJEF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
3.10
ALogP
9
HBA
2
HBD
114.6
PSA (Ų)
0.27
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.56 | 6.56 | 278.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 278.0 | nM | 6.56 | Inhibition of HDAC (unknown origin) | 32791404 |
| PC-3 | IC50 | = | 970.0 | nM | 6.01 | Cytotoxicity against human PC-3 cells assessed as inhibition of cell growth by S... | 32791404 |
| MV4-11 | IC50 | = | 970.0 | nM | 6.01 | Cytotoxicity against human MV4-11 cells assessed as inhibition of cell growth by... | 32791404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32791404 | 10.1016/j.ejmech.2020.112679 | Histone deacetylase | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | PC-3 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine