Compound Detail
CHEMBL489483
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Basic Information
| ChEMBL ID | CHEMBL489483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEPHLYABVSVESA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
525.4
MW (Da)
6.84
ALogP
6
HBA
1
HBD
70.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 80.0 | nM | 7.1 | Antiamnesic activity against Entamoeba histolytica HMI:IMSS after 72 hrs by micr... | 18068273 |
| Entamoeba histolytica | IC50 | = | 80.0 | nM | 7.1 | Antiamoebic activity against Entamoeba histolytica | 25128670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18068273 | 10.1016/j.ejmech.2007.10.026 | Entamoeba histolytica | 1 |
| 18068273 | 10.1016/j.ejmech.2007.10.026 | ADMET | 1 |
| 18068273 | 10.1016/j.ejmech.2007.10.026 | NON-PROTEIN TARGET | 1 |
| 25128670 | 10.1016/j.ejmech.2014.08.034 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine