Compound Detail
CHEMBL2325356
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O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL2325356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMOBIDJLKSBFAR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.2
MW (Da)
8.61
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.89 | 6.855 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 130.0 | nM | 6.89 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 23313245 |
| Plasmodium falciparum | EC50 | = | 150.0 | nM | 6.82 | Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition o... | 23313245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23313245 | 10.1016/j.bmcl.2012.12.022 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine