Compound Detail
CHEMBL57998
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Basic Information
| ChEMBL ID | CHEMBL57998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYRZFNJFXJEDKJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.0
MW (Da)
2.22
ALogP
8
HBA
6
HBD
155.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibitory activity against Plasmodium falciparum D6 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00326-O | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine