Compound Detail
CHEMBL1085554
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Basic Information
| ChEMBL ID | CHEMBL1085554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAXFELSGNNLVRE-UKRRQHHQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.02
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba invadens CHEMBL1075346 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.71 | 4.71 | 19500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba invadens | IC50 | = | 9300.0 | nM | 5.03 | Antiprotozoal activity against Entamoeba invadens after 24 hrs by trypan blue as... | 20478706 |
| Entamoeba histolytica | IC50 | = | 19500.0 | nM | 4.71 | Antiprotozoal activity against Entamoeba histolytica after 24 hrs by trypan blue... | 20478706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20478706 | 10.1016/j.bmcl.2010.04.056 | Entamoeba histolytica | 1 |
| 20478706 | 10.1016/j.bmcl.2010.04.056 | Entamoeba invadens | 1 |
| 20478706 | 10.1016/j.bmcl.2010.04.056 | MCF7 | 1 |
| 20478706 | 10.1016/j.bmcl.2010.04.056 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine