Compound Detail
CHEMBL4460588
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Basic Information
| ChEMBL ID | CHEMBL4460588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHUQYVXJYCYCMS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
260.2
MW (Da)
1.56
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 200.0 | nM | 6.7 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Entamoeba histolytica | IC50 | = | 2200.0 | nM | 5.66 | Antiparasitic activity against Entamoeba histolytica HM-1:IMSS trophozoites afte... | 30468386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Mycobacterium tuberculosis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Giardia intestinalis | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Entamoeba histolytica | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Clostridioides difficile | 1 |
| - | 10.6019/CHEMBL4513134 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine