Compound Detail
CHEMBL519035
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Basic Information
| ChEMBL ID | CHEMBL519035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXAKCNRDWDSHIL-VOTSOKGWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
2.23
ALogP
6
HBA
4
HBD
108.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL5541 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Plasmodium falciparum HDAC1 expressed in Drosophila melanogaster S... | 19317450 |
| Plasmodium falciparum | IC50 | = | 59.0 | nM | 7.23 | Antimalarial activity against Plasmodium falciparum 3D7 by [3H]hypoxanthine upta... | 19317450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19317450 | 10.1021/jm801654y | MM1.S | 1 |
| 19317450 | 10.1021/jm801654y | Histone deacetylase | 1 |
| 19317450 | 10.1021/jm801654y | Plasmodium falciparum | 1 |
| 19317450 | 10.1021/jm801654y | ADMET | 1 |
Data from ChEMBL 36 via Core Engine