Compound Detail
CHEMBL12760
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Basic Information
| ChEMBL ID | CHEMBL12760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFQOXIMRSMFQRI-BQYQJAHWSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
1.97
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Histone deacetylase HD2 CHEMBL4919 | IC50 | 7.0 | 7.0 | 100.0 | 3 |
| Histone deacetylase 1 CHEMBL4001 | IC50 | 6.29 | 6.29 | 512.9 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase HD2 | IC50 | = | 100.0 | nM | 7.0 | Inhibitory activity against maize Histone deacetylase 2 | 15189037 |
| Histone deacetylase | IC50 | = | 100.0 | nM | 7.0 | Inhibitory concentration against histone deacetylase | 14613312 |
| Histone deacetylase HD2 | IC50 | = | 100.0 | nM | 7.0 | Concentration required for inhibition of histone deacetylase HD2 in vitro. | 14971890 |
| Histone deacetylase HD2 | IC50 | = | 100.0 | nM | 7.0 | Inhibitory concentration against histone deacetylase HD2 enzyme. | 14971890 |
| Histone deacetylase 1 | IC50 | = | 512.86 | nM | 6.29 | Inhibitory activity against mouse Histone deacetylase 1 (HDAC1) | 15189037 |
| Plasmodium falciparum | IC50 | = | 1200.0 | nM | 5.92 | Antimalarial activity against Plasmodium falciparum using Malstat reagent by par... | 28241112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14971890 | 10.1021/jm030990+ | Histone deacetylase HD2 | 3 |
| 15189037 | 10.1021/jm0498497 | Histone deacetylase HD2 | 1 |
| 15189037 | 10.1021/jm0498497 | Histone deacetylase 1 | 1 |
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
| 28241112 | 10.1021/acs.jmedchem.6b01595 | Plasmodium falciparum | 1 |
| 28241112 | 10.1021/acs.jmedchem.6b01595 | Vero | 1 |
| 28241112 | 10.1021/acs.jmedchem.6b01595 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine