Compound Detail
CHEMBL1169911
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FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cccc(C(F)(F)F)c3)nc(Oc3ccccc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL1169911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQFLFKNVNWWXMA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
572.5
MW (Da)
7.86
ALogP
8
HBA
2
HBD
86.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.94 | 6.94 | 116.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 116.0 | nM | 6.94 | Antimalarial activity Plasmodium falciparum 3D7 | 20610151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20610151 | 10.1016/j.bmcl.2010.05.095 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine