Compound Detail
CHEMBL1209415
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N#Cc1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-]
Basic Information
| ChEMBL ID | CHEMBL1209415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXUMIZLSVDQFOR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.8
MW (Da)
2.98
ALogP
5
HBA
0
HBD
84.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 6700.0 | nM | 5.17 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes | 20634064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20634064 | 10.1016/j.bmcl.2010.06.101 | Trypanosoma cruzi | 2 |
| 20634064 | 10.1016/j.bmcl.2010.06.101 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine