Compound Detail
CHEMBL3912869
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Basic Information
| ChEMBL ID | CHEMBL3912869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDWRHSJMMPHHBV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
1.84
ALogP
6
HBA
1
HBD
113.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.39 | 5.39 | 4073.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 4100.0 | nM | 5.39 | Antiparasitic activity against metronidazole sensitive Giardia lamblia WB tropho... | 27236016 |
| NON-PROTEIN TARGET | EC50 | = | 4073.8 | nM | 5.39 | Antiparasitic activity against metronidazole sensitive Giardia lamblia WB tropho... | 27236016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27236016 | 10.1016/j.ejmech.2016.04.064 | NON-PROTEIN TARGET | 4 |
| 27236016 | 10.1016/j.ejmech.2016.04.064 | Entamoeba histolytica | 2 |
| 27236016 | 10.1016/j.ejmech.2016.04.064 | Unchecked | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine