Compound Detail
CHEMBL257755
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COc1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)ccc1OCCCCCOc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL257755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVLHQEIDZPIVCB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
684.6
MW (Da)
9.46
ALogP
6
HBA
2
HBD
94.3
PSA (Ų)
0.10
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 4.2 | 4.2 | 63091.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium berghei | IC50 | = | 63091.0 | nM | 4.2 | Antiprotozoal activity against Plasmodium berghei | 18486471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Trichomonas vaginalis | 1 |
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Giardia intestinalis | 1 |
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Entamoeba histolytica | 1 |
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Leishmania mexicana | 1 |
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine