Compound Detail
CHEMBL3770288
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O=C(Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL3770288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVPCZNRJVLUMIX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
5.04
ALogP
5
HBA
2
HBD
66.1
PSA (Ų)
0.56
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma japonicum CHEMBL612644 | IC50 | 4.65 | 4.65 | 22600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma japonicum | IC50 | = | 22600.0 | nM | 4.65 | Antischistosomal activity against juvenile stage of Schistosoma japonicum after ... | 26856921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26856921 | 10.1016/j.bmcl.2016.01.075 | Schistosoma japonicum | 2 |
Data from ChEMBL 36 via Core Engine