Compound Detail
CHEMBL540171
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Basic Information
| ChEMBL ID | CHEMBL540171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPPNDTUUDFHQTO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
329.1
MW (Da)
3.05
ALogP
5
HBA
1
HBD
90.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 4.66 | 4.66 | 22020.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.6 | 4.6 | 25280.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 4.43 | 4.43 | 37020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 22020.0 | nM | 4.66 | Antiparasitic activity against Giardia intestinalis IMSS:0696 trophozoites after... | 19208443 |
| Entamoeba histolytica | IC50 | = | 25280.0 | nM | 4.6 | Antiamnesic activity against Entamoeba histolytica HM-1:IMSS trophozoites after ... | 19208443 |
| Trichomonas vaginalis | IC50 | = | 37020.0 | nM | 4.43 | Antiparasitic activity against Trichomonas vaginalis GT3 trophozoites after 48 h... | 19208443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19208443 | 10.1016/j.ejmech.2009.01.005 | Unchecked | 3 |
| 19208443 | 10.1016/j.ejmech.2009.01.005 | Trichomonas vaginalis | 1 |
| 19208443 | 10.1016/j.ejmech.2009.01.005 | MDCK | 1 |
| 19208443 | 10.1016/j.ejmech.2009.01.005 | Giardia intestinalis | 1 |
| 19208443 | 10.1016/j.ejmech.2009.01.005 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine