Compound Detail
CHEMBL459380
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Basic Information
| ChEMBL ID | CHEMBL459380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAWGBUQADCSSAQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
238.7
MW (Da)
2.40
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.72 | 7.72 | 18.9 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 7.32 | 7.32 | 48.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 18.9 | nM | 7.72 | Antiprotozoal activity against Trichomonas vaginalis GT3 trophozoites after 48 h... | 19186059 |
| Giardia intestinalis | IC50 | = | 48.2 | nM | 7.32 | Antiprotozoal activity against Giardia intestinalis IMSS:0981:1 trophozoites aft... | 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 |
Data from ChEMBL 36 via Core Engine