Compound Detail
CHEMBL145964
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Basic Information
| ChEMBL ID | CHEMBL145964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEMJRTWCBPRWFB-YVMONPNESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.2
MW (Da)
4.92
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.44 | 6.405 | 360.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 360.0 | nM | 6.44 | In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... | 8544179 |
| Plasmodium falciparum | IC50 | = | 430.0 | nM | 6.37 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 8544179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544179 | 10.1021/jm00026a010 | Plasmodium falciparum | 2 |
| 8544179 | 10.1021/jm00026a010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine