Compound Detail
CHEMBL71880
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Basic Information
| ChEMBL ID | CHEMBL71880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLEJNRYXCWJNPA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
225.6
MW (Da)
2.39
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 7.18 | 7.18 | 66.0 | 2 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 66.0 | nM | 7.18 | The compound was tested in vitro against the protozoa Giardia lamblia, for the i... | 12127542 |
| Giardia intestinalis | IC50 | = | 66.0 | nM | 7.18 | Antigiardial activity against Giardia lamblia IMSS:0989:1 incubated for 48 hrs f... | 32869995 |
| Entamoeba histolytica | IC50 | = | 350.0 | nM | 6.46 | The compound was tested in vitro against the protozoa Entamoeba histolytica, for... | 12127542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18582991 | 10.1016/j.ejmech.2008.05.005 | Taenia crassiceps | 4 |
| 12127542 | 10.1016/s0960-894x(02)00346-3 | Giardia intestinalis | 1 |
| 12127542 | 10.1016/s0960-894x(02)00346-3 | Entamoeba histolytica | 1 |
| 12127542 | 10.1016/s0960-894x(02)00346-3 | Trichinella spiralis | 1 |
| 18582991 | 10.1016/j.ejmech.2008.05.005 | No relevant target | 1 |
| 32869995 | 10.1021/acs.jmedchem.0c00910 | Giardia intestinalis | 1 |
Data from ChEMBL 36 via Core Engine