Compound Detail
CHEMBL1276301
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 | CHEMBL1276301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPSPZJZLFVXKIS-VGOFMYFVSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.68
ALogP
5
HBA
1
HBD
53.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.17 | 4.4433 | 6700.0 | 3 |
| Cruzipain CHEMBL3563 | IC50 | 4.69 | 4.69 | 20400.0 | 2 |
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 epimastigotes of Trypanosoma cruzi Y assessed ... | 20961766 |
| Cruzipain | IC50 | = | 20400.0 | nM | 4.69 | Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins | 20961766 |
| Cruzipain | IC50 | = | 20400.0 | nM | 4.69 | Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate ... | 23167554 |
| Trypanosoma cruzi | IC50 | = | 80400.0 | nM | 4.09 | Antitrypanosomal activity against Trypanosoma cruzi | 23167554 |
| Trypanosoma cruzi | IC50 | = | 84800.0 | nM | 4.07 | Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi Y assesse... | 20961766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20961766 | 10.1016/j.bmc.2010.09.056 | Trypanosoma cruzi | 5 |
| 20961766 | 10.1016/j.bmc.2010.09.056 | Cruzipain | 4 |
| 20961766 | 10.1016/j.bmc.2010.09.056 | ADMET | 1 |
| 20961766 | 10.1016/j.bmc.2010.09.056 | Mus musculus | 1 |
| 23167554 | 10.1021/jm301518v | Trypanosoma cruzi | 1 |
| 23167554 | 10.1021/jm301518v | Cruzipain | 1 |
Data from ChEMBL 36 via Core Engine