Compound Detail
CHEMBL85857
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Basic Information
| ChEMBL ID | CHEMBL85857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOBMDTYGUAJFKI-GFEJNNMYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.71
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.96 | 5.8 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1100.0 | nM | 5.96 | In vitro antimalarial activity against Plasmodium falciparum D6 Sierra Leone rel... | 8355254 |
| Plasmodium falciparum | IC50 | = | 2300.0 | nM | 5.64 | In vitro antimalarial activity relative to artemisinin against Plasmodium falcip... | 8355254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8355254 | 10.1021/jm00069a014 | Plasmodium falciparum | 4 |
Data from ChEMBL 36 via Core Engine