Compound Detail
CHEMBL490275
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Cc1cc2c(cc1C)[n+]([O-])c(-c1ccc(OC(F)(F)F)cc1)c(C#N)[n+]2[O-]
Basic Information
| ChEMBL ID | CHEMBL490275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWLSIUNBAMYQFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
375.3
MW (Da)
3.16
ALogP
4
HBA
0
HBD
86.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
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 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 10600.0 | nM | 4.97 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes | 20634064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19058970 | 10.1016/j.bmc.2008.10.086 | Mycobacterium tuberculosis | 2 |
| 20634064 | 10.1016/j.bmcl.2010.06.101 | Trypanosoma cruzi | 2 |
| 19058970 | 10.1016/j.bmc.2008.10.086 | Vero | 1 |
| 19058970 | 10.1016/j.bmc.2008.10.086 | Unchecked | 1 |
| 18215443 | 10.1016/j.ejmech.2007.11.024 | Plasmodium falciparum | 1 |
| 20634064 | 10.1016/j.bmcl.2010.06.101 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine