Compound Detail
CHEMBL2403417
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Basic Information
| ChEMBL ID | CHEMBL2403417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEGRUVBOBALDPB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.35
ALogP
7
HBA
0
HBD
61.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.37 | 7.37 | 42.7 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 7.21 | 7.21 | 61.6 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.11 | 7.11 | 77.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 42.7 | nM | 7.37 | Antiprotozoal activity against trophozoite stage of Entamoeba histolytica HM-1:I... | 23731944 |
| Giardia intestinalis | IC50 | = | 61.6 | nM | 7.21 | Antiprotozoal activity against trophozoite stage of Giardia intestinalis IMSS:09... | 23731944 |
| Trichomonas vaginalis | IC50 | = | 77.4 | nM | 7.11 | Antiprotozoal activity against trophozoite stage of Trichomonas vaginalis GT3 as... | 23731944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23731944 | 10.1016/j.bmcl.2013.05.012 | Entamoeba histolytica | 1 |
| 23731944 | 10.1016/j.bmcl.2013.05.012 | Giardia intestinalis | 1 |
| 23731944 | 10.1016/j.bmcl.2013.05.012 | Trichomonas vaginalis | 1 |
Data from ChEMBL 36 via Core Engine