Compound Detail
CHEMBL56473
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Basic Information
| ChEMBL ID | CHEMBL56473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUGXJCYKHIJTHD-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
234.6
MW (Da)
3.25
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 7.38 | 7.38 | 42.0 | 3 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.34 | 7.34 | 45.7 | 3 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.62 | 6.62 | 238.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 42.0 | nM | 7.38 | In vitro antiprotozoal activity against Giardia lamblia | 11206455 |
| Giardia intestinalis | IC50 | = | 42.0 | nM | 7.38 | Antiprotozoal activity against Giardia intestinalis IMSS:0989:1 after 48 hrs | 20430484 |
| Giardia intestinalis | IC50 | = | 42.0 | nM | 7.38 | Antiparasitic activity against Giardia duodenalis IMSS:0989 after 48 hrs | 22464423 |
| Entamoeba histolytica | IC50 | = | 46.0 | nM | 7.34 | In vitro antiprotozoal activity against Entamoeba histolytica | 11206455 |
| Entamoeba histolytica | IC50 | = | 45.71 | nM | 7.34 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Entamoeba histolytica | IC50 | = | 46.0 | nM | 7.34 | Antiprotozoal activity against Entamoeba histolytica HM-1:IMSS after 48 hrs | 20430484 |
| Trichomonas vaginalis | IC50 | = | 238.0 | nM | 6.62 | Antiprotozoal activity against Trichomonas vaginalis G3 after 48 hrs | 20430484 |
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 |
| 22464423 | 10.1016/j.ejmech.2012.03.014 | No relevant target | 4 |
| 20430484 | 10.1016/j.ejmech.2010.03.050 | Trichinella spiralis | 3 |
| 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 |
| 20430484 | 10.1016/j.ejmech.2010.03.050 | Leishmania mexicana | 1 |
| 20430484 | 10.1016/j.ejmech.2010.03.050 | Trichomonas vaginalis | 1 |
| 20430484 | 10.1016/j.ejmech.2010.03.050 | Entamoeba histolytica | 1 |
| 20430484 | 10.1016/j.ejmech.2010.03.050 | Giardia intestinalis | 1 |
| 22464423 | 10.1016/j.ejmech.2012.03.014 | Giardia intestinalis | 1 |
Data from ChEMBL 36 via Core Engine