Compound Detail
CHEMBL3355358
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
Basic Information
| ChEMBL ID | CHEMBL3355358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGSZZGMHEXRYBC-KBAYOESNSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.58
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.57 | 4.3433 | 27100.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.36 | 4.36 | 43900.0 | 1 |
| Superoxide dismutase [Cu-Zn] CHEMBL2354 | IC50 | 4.23 | 4.23 | 58900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 27100.0 | nM | 4.57 | Trypanocidal activity against intracellular amastigote form of Trypanosoma cruzi... | 25462275 |
| Trypanosoma cruzi | IC50 | = | 39200.0 | nM | 4.41 | Trypanocidal activity against epimastigote Trypanosoma cruzi IRHOD/CO/2008/SN3 | 25462275 |
| Unchecked | IC50 | = | 43900.0 | nM | 4.36 | Inhibition of Fe-SOD in Trypanosoma cruzi epimastigote | 25462275 |
| Superoxide dismutase [Cu-Zn] | IC50 | = | 58900.0 | nM | 4.23 | Inhibition of CuZn-SOD in human erythrocytes | 25462275 |
| Trypanosoma cruzi | IC50 | = | 89300.0 | nM | 4.05 | Antiparasitic activity against trypomastigote form of Trypanosoma cruzi IRHOD/CO... | 25462275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25462275 | 10.1016/j.ejmech.2014.11.004 | Trypanosoma cruzi | 13 |
| 25462275 | 10.1016/j.ejmech.2014.11.004 | Mus musculus | 8 |
| 25462275 | 10.1016/j.ejmech.2014.11.004 | Unchecked | 5 |
| 25462275 | 10.1016/j.ejmech.2014.11.004 | Vero | 1 |
| 25462275 | 10.1016/j.ejmech.2014.11.004 | Superoxide dismutase [Cu-Zn] | 1 |
Data from ChEMBL 36 via Core Engine