Compound Detail
CHEMBL228258
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Basic Information
| ChEMBL ID | CHEMBL228258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPVBKOUKUCKNIK-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
343.9
MW (Da)
4.11
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.3 | 7.3 | 50.1 | 2 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.72 | 6.72 | 190.6 | 3 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.6 | 6.6 | 251.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 50.12 | nM | 7.3 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Entamoeba histolytica | IC50 | = | 50.12 | nM | 7.3 | Antiparasitic activity against trophozoite stage of Entamoeba histolytica HM-1:I... | 28595066 |
| Trichomonas vaginalis | IC50 | = | 190.55 | nM | 6.72 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 190.55 | nM | 6.72 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 190.55 | nM | 6.72 | Antiparasitic activity against trophozoite stage of Trichomonas vaginalis GT3 af... | 28595066 |
| Giardia intestinalis | IC50 | = | 251.19 | nM | 6.6 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 251.19 | nM | 6.6 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 251.19 | nM | 6.6 | Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:10... | 28595066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00159G | Trichomonas vaginalis | 2 |
| - | 10.1039/C0MD00159G | Giardia intestinalis | 2 |
| 17074492 | 10.1016/j.bmc.2006.10.019 | Entamoeba histolytica | 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