Compound Detail
CHEMBL4458931
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 | CHEMBL4458931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPSKZFQATZXSEU-UORFTKCHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
-0.90
ALogP
8
HBA
4
HBD
137.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 4000.0 | nM | 5.4 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen CL2 amastigotes inf... | 31495177 |
| Unchecked | EC50 | = | 18500.0 | nM | 4.73 | Cytotoxicity against human MRC5 SV2 cells assessed as reduction in cell viabilit... | 31495177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Unchecked | 2 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine