Compound Detail
CHEMBL142988
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Basic Information
| ChEMBL ID | CHEMBL142988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFSBBKFOXUQMOG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
1.80
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase HD2 CHEMBL4919 | IC50 | 6.75 | 6.75 | 180.0 | 2 |
| Histone deacetylase 8 CHEMBL3797017 | IC50 | 5.54 | 5.54 | 2884.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase HD2 | IC50 | = | 180.0 | nM | 6.75 | Inhibitory concentration against maize Histone deacetylase 2 | 14613312 |
| Histone deacetylase HD2 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of maize Histone deacetylase 2 (HD-2) activity | 10579829 |
| Histone deacetylase 8 | IC50 | = | 2884.03 | nM | 5.54 | Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate... | 28259528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613312 | 10.1021/jm0303094 | Histone deacetylase HD2 | 1 |
| 10579829 | 10.1021/jm991091h | Histone deacetylase HD2 | 1 |
| 28259528 | 10.1016/j.bmc.2017.02.020 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine