Compound Detail
CHEMBL500021
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Basic Information
| ChEMBL ID | CHEMBL500021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDACYHCKZGLUJI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.20
ALogP
6
HBA
2
HBD
76.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 30000.0 | nM | 4.52 | Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-s... | 19447616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19447616 | 10.1016/j.bmcl.2009.04.142 | Plasmodium falciparum | 4 |
Data from ChEMBL 36 via Core Engine