Compound Detail
CHEMBL491969
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Basic Information
| ChEMBL ID | CHEMBL491969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSIQULLFFFZAOL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
6.72
ALogP
6
HBA
0
HBD
54.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 6.77 | 6.77 | 170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 170.0 | nM | 6.77 | Antiamnesic activity against Entamoeba histolytica HM-1:IMSS after 72 hrs by try... | 18378360 |
| Entamoeba histolytica | IC50 | = | 170.0 | nM | 6.77 | Antiamoebic activity against Entamoeba histolytica | 25128670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18378360 | 10.1016/j.ejmech.2008.02.002 | Entamoeba histolytica | 1 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | ADMET | 1 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | NON-PROTEIN TARGET | 1 |
| 25128670 | 10.1016/j.ejmech.2014.08.034 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine