Compound Detail
CHEMBL4173686
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Basic Information
| ChEMBL ID | CHEMBL4173686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZZXLMFUHHOWHS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.7
MW (Da)
6.48
ALogP
4
HBA
2
HBD
42.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.8 | 5.765 | 1580.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1580.0 | nM | 5.8 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 aft... | 29223887 |
| Plasmodium falciparum | IC50 | = | 1860.0 | nM | 5.73 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... | 29223887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29223887 | 10.1016/j.ejmech.2017.11.069 | Plasmodium falciparum | 2 |
| 29223887 | 10.1016/j.ejmech.2017.11.069 | Unchecked | 2 |
| 29223887 | 10.1016/j.ejmech.2017.11.069 | Toxoplasma gondii | 1 |
| 29223887 | 10.1016/j.ejmech.2017.11.069 | Vero | 1 |
Data from ChEMBL 36 via Core Engine