Compound Detail
CHEMBL445790
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Basic Information
| ChEMBL ID | CHEMBL445790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVWZNOQTUQEVGN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
1.78
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 7.07 | 7.07 | 86.0 | 2 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.68 | 6.68 | 209.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 86.1 | nM | 7.07 | Antiprotozoal activity against Giardia intestinalis IMSS:0981:1 trophozoites aft... | 19186059 |
| Giardia intestinalis | IC50 | = | 86.0 | nM | 7.07 | Antiprotozoan activity against Giardia intestinalis | 22047694 |
| Trichomonas vaginalis | IC50 | = | 209.5 | nM | 6.68 | Antiprotozoal activity against Trichomonas vaginalis GT3 trophozoites after 48 h... | 19186059 |
| Trichomonas vaginalis | IC50 | = | 210.0 | nM | 6.68 | Antiprotozoan activity against Trichomonas vaginalis | 22047694 |
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 |
| 22047694 | 10.1016/j.bmcl.2011.10.028 | Trichomonas vaginalis | 1 |
| 22047694 | 10.1016/j.bmcl.2011.10.028 | Giardia intestinalis | 1 |
Data from ChEMBL 36 via Core Engine