Compound Detail
CHEMBL519493
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Basic Information
| ChEMBL ID | CHEMBL519493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PONQSXOUYWHUDO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.1
MW (Da)
6.66
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.35 | 6.8025 | 45.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 45.0 | nM | 7.35 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum GCO3 a... | 18512900 |
| Plasmodium falciparum | IC50 | = | 73.0 | nM | 7.14 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum HB3 af... | 18512900 |
| Plasmodium falciparum | IC50 | = | 316.0 | nM | 6.5 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 af... | 18512900 |
| Plasmodium falciparum | IC50 | = | 604.0 | nM | 6.22 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FCB af... | 18512900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18512900 | 10.1021/jm701478a | Plasmodium falciparum | 6 |
Data from ChEMBL 36 via Core Engine