Compound Detail
CHEMBL226920
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Basic Information
| ChEMBL ID | CHEMBL226920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOJCWFWANPATNU-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
276.1
MW (Da)
2.40
ALogP
5
HBA
1
HBD
115.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 6.62 | 6.62 | 239.9 | 3 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.24 | 6.24 | 575.4 | 3 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.87 | 5.84 | 1349.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 239.88 | nM | 6.62 | Antiprotozoal activity against Giardia intestinalis | 20888242 |
| Giardia intestinalis | IC50 | = | 239.88 | nM | 6.62 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 239.88 | nM | 6.62 | Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:10... | 28595066 |
| Trichomonas vaginalis | IC50 | = | 575.44 | nM | 6.24 | Antiprotozoal activity against Trichomonas vaginalis | 20888242 |
| Trichomonas vaginalis | IC50 | = | 575.44 | nM | 6.24 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 575.44 | nM | 6.24 | Antiparasitic activity against trophozoite stage of Trichomonas vaginalis GT3 af... | 28595066 |
| Entamoeba histolytica | IC50 | = | 1348.96 | nM | 5.87 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Entamoeba histolytica | IC50 | = | 1548.82 | nM | 5.81 | Antiparasitic activity against trophozoite stage of Entamoeba histolytica HM-1:I... | 28595066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17074492 | 10.1016/j.bmc.2006.10.019 | Entamoeba histolytica | 1 |
| 20888242 | 10.1016/j.bmc.2010.09.019 | Trichomonas vaginalis | 1 |
| 20888242 | 10.1016/j.bmc.2010.09.019 | Giardia intestinalis | 1 |
| - | 10.1039/C0MD00159G | Trichomonas vaginalis | 1 |
| - | 10.1039/C0MD00159G | Giardia intestinalis | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Giardia intestinalis | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Entamoeba histolytica | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Trichomonas vaginalis | 1 |
Data from ChEMBL 36 via Core Engine