Compound Detail
CHEMBL5005705
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Basic Information
| ChEMBL ID | CHEMBL5005705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYWZWNVZYXDLGF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
0.61
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.32 | 7.2 | 47.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 47.9 | nM | 7.32 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 83.2 | nM | 7.08 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 8 |
| - | 10.6019/CHEMBL4888484 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine