Compound Detail
CHEMBL3752075
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CC(C)C(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(N(C)C)c(N3CCOCC3)cc2[n+]1[O-]
Basic Information
| ChEMBL ID | CHEMBL3752075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCYDTOJTJCCEAH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
1.87
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 10700.0 | nM | 4.97 | Trypanocidal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes after 5... | 26750255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26750255 | 10.1016/j.bmcl.2015.12.070 | Trypanosoma cruzi | 2 |
Data from ChEMBL 36 via Core Engine