Compound Detail
CHEMBL4469596
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Basic Information
| ChEMBL ID | CHEMBL4469596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQFOLJQYULLTTM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.75
ALogP
5
HBA
3
HBD
95.1
PSA (Ų)
0.18
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneou... | 30366254 |
| Plasmodium falciparum | IC50 | = | 79.4 | nM | 7.1 | Antiplasmodial activity against asynchronous form of Plasmodium falciparum 3D7 i... | 30366254 |
| Histone deacetylase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneou... | 30366254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30366254 | 10.1016/j.ejmech.2018.10.041 | Plasmodium falciparum | 2 |
| 30366254 | 10.1016/j.ejmech.2018.10.041 | Histone deacetylase 1 | 1 |
| 30366254 | 10.1016/j.ejmech.2018.10.041 | Histone deacetylase 4 | 1 |
| 30366254 | 10.1016/j.ejmech.2018.10.041 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine