Compound Detail
CHEMBL4849235
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Basic Information
| ChEMBL ID | CHEMBL4849235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUWIVEROLJCNHO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
2.83
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.55 | 6.55 | 281.0 | 1 |
| Plasmodium berghei CHEMBL612653 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.61 | 5.61 | 2430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of N-terminal GST-tagged full length human recombinant HDAC6 expresse... | 33360801 |
| Plasmodium falciparum | IC50 | = | 281.0 | nM | 6.55 | Antiplasmodial activity against drug-sensitive asexual intraerythrocytic stage o... | 33360801 |
| Plasmodium berghei | IC50 | = | 820.0 | nM | 6.09 | Antiplasmodial activity against liver stage exo-erythrocytic forms of Plasmodium... | 33360801 |
| Histone deacetylase 1 | IC50 | = | 2430.0 | nM | 5.61 | Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 resid... | 33360801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33360801 | 10.1016/j.ejmech.2020.113065 | ADMET | 2 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Histone deacetylase 1 | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Plasmodium falciparum | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | HepG2 | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Histone deacetylase 6 | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Unchecked | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine