Compound Detail
CHEMBL1170757
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Basic Information
| ChEMBL ID | CHEMBL1170757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXHZVFGSDNOWES-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.1
MW (Da)
5.69
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Leishmania mexicana CHEMBL612880 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 19.0 | nM | 7.72 | Antiprotozoal activity against Entamoeba histolytica HM-1:IMSS after 48 hrs | 20430484 |
| Giardia intestinalis | IC50 | = | 63.0 | nM | 7.2 | Antiprotozoal activity against Giardia intestinalis IMSS:0989:1 after 48 hrs | 20430484 |
| Trichomonas vaginalis | IC50 | = | 110.0 | nM | 6.96 | Antiprotozoal activity against Trichomonas vaginalis G3 after 48 hrs | 20430484 |
| Leishmania mexicana | IC50 | = | 4100.0 | nM | 5.39 | Antileishmanial activity against Leishmania mexicana MHOM/MX92/UAY68 after 48 hr... | 20430484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20430484 | 10.1016/j.ejmech.2010.03.050 | Trichinella spiralis | 3 |
| 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 |
Data from ChEMBL 36 via Core Engine