Compound Detail
CHEMBL2042780
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 | CHEMBL2042780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDXDUBHKSJPSBR-SXSSDGSKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.56
ALogP
3
HBA
2
HBD
61.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.23 | 5.205 | 5900.0 | 2 |
| Cruzipain CHEMBL3563 | IC50 | 4.28 | 4.28 | 52200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 5900.0 | nM | 5.23 | Antitrypanosomal activity against bloodstream form of Trypanosoma cruzi Y trypom... | 22727447 |
| Trypanosoma cruzi | IC50 | = | 6600.0 | nM | 5.18 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 intracellular ... | 22727447 |
| Cruzipain | IC50 | = | 52200.0 | nM | 4.28 | Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Esch... | 22727447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727447 | 10.1016/j.ejmech.2012.05.041 | Trypanosoma cruzi | 2 |
| 22727447 | 10.1016/j.ejmech.2012.05.041 | J774 | 1 |
| 22727447 | 10.1016/j.ejmech.2012.05.041 | Cruzipain | 1 |
| 22727447 | 10.1016/j.ejmech.2012.05.041 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine