Compound Detail
CHEMBL5269694
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 | CHEMBL5269694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQCVOKWATJURDZ-SFHVURJKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.15
ALogP
3
HBA
3
HBD
97.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.6
Ki 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | Ki | 6.4 | 6.4 | 398.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.6 | 4.575 | 25118.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | Ki | = | 398.0 | nM | 6.4 | Binding affinity to Trypanosoma cruzi Cruzain assessed as inhibition constant | 30282318 |
| Trypanosoma cruzi | EC50 | = | 25118.86 | nM | 4.6 | Antitrypanosomal activity against Trypanosoma cruzi assessed as inhibition of gr... | 30282318 |
| Trypanosoma cruzi | EC50 | = | 28000.0 | nM | 4.55 | Antitrypanosomal activity against Trypanosoma cruzi | 30282318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30282318 | 10.1016/j.ejmech.2018.08.079 | Trypanosoma cruzi | 2 |
| 30282318 | 10.1016/j.ejmech.2018.08.079 | Cruzipain | 1 |
Data from ChEMBL 36 via Core Engine