Compound Detail
CHEMBL457956
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Basic Information
| ChEMBL ID | CHEMBL457956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXNWGBPRRHESCL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
1.63
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 7.17 | 7.17 | 68.1 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.78 | 6.78 | 167.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 68.1 | nM | 7.17 | Antiprotozoal activity against Giardia intestinalis IMSS:0981:1 trophozoites aft... | 19186059 |
| Trichomonas vaginalis | IC50 | = | 167.4 | nM | 6.78 | Antiprotozoal activity against Trichomonas vaginalis GT3 trophozoites after 48 h... | 19186059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19186059 | 10.1016/j.bmc.2008.12.059 | Giardia intestinalis | 1 |
| 19186059 | 10.1016/j.bmc.2008.12.059 | Trichomonas vaginalis | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine