Compound Detail
CHEMBL54544
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 | CHEMBL54544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYPXDFDMTRSOGQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
269.1
MW (Da)
3.90
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.48 | 7.48 | 33.0 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 33.0 | nM | 7.48 | In vitro antiprotozoal activity against Entamoeba histolytica | 11206455 |
| Entamoeba histolytica | IC50 | = | 33.11 | nM | 7.48 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Giardia intestinalis | IC50 | = | 260.0 | nM | 6.58 | In vitro antiprotozoal activity against Giardia lamblia | 11206455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11206455 | 10.1016/s0960-894x(00)00619-3 | Trichinella spiralis | 4 |
| 11206455 | 10.1016/s0960-894x(00)00619-3 | Rattus norvegicus | 4 |
| 11206455 | 10.1016/s0960-894x(00)00619-3 | Giardia intestinalis | 1 |
| 11206455 | 10.1016/s0960-894x(00)00619-3 | Entamoeba histolytica | 1 |
| 17074492 | 10.1016/j.bmc.2006.10.019 | Entamoeba histolytica | 1 |
| 22225635 | 10.1016/j.bmcl.2011.12.088 | HCT-116 | 1 |
| 22225635 | 10.1016/j.bmcl.2011.12.088 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine