Compound Detail
CHEMBL1577852
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Basic Information
| ChEMBL ID | CHEMBL1577852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHIUSKATQDRPGM-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
1.48
ALogP
7
HBA
1
HBD
97.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.48
EC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.48 | 6.48 | 331.0 | 1 |
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 5.58 | 5.58 | 2615.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 5.47 | 5.47 | 3352.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 331.0 | nM | 6.48 | Trichomonicidal activity against Trichomonas vaginalis GT3 compound treated for ... | 25801157 |
| Aryl hydrocarbon receptor | EC50 | = | 2615.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Giardia intestinalis | IC50 | = | 3352.0 | nM | 5.47 | Giardicidal activity against Giardia intestinalis IMSS:0696:1 compound treated f... | 25801157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25801157 | 10.1016/j.bmc.2015.02.059 | Giardia intestinalis | 1 |
| 25801157 | 10.1016/j.bmc.2015.02.059 | Trichomonas vaginalis | 1 |
| 25801157 | 10.1016/j.bmc.2015.02.059 | Unchecked | 1 |
| 25801157 | 10.1016/j.bmc.2015.02.059 | Vero | 1 |
Data from ChEMBL 36 via Core Engine