Compound Detail
CHEMBL5629877
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COc1cccc(C(c2ccc(OC(F)(F)F)cc2)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O
Basic Information
| ChEMBL ID | CHEMBL5629877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFNCNYLQFIHJRL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
544.0
MW (Da)
6.41
ALogP
6
HBA
1
HBD
58.1
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1470.0 | nM | 5.83 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 37321109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37321109 | 10.1016/j.ejmech.2023.115564 | Plasmodium falciparum | 2 |
| 37321109 | 10.1016/j.ejmech.2023.115564 | Erythrocyte | 1 |
Data from ChEMBL 36 via Core Engine