Compound Detail
CHEMBL69098
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Basic Information
| ChEMBL ID | CHEMBL69098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKLOLMQJDLMZRE-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
152.6
MW (Da)
2.22
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.41 | 7.41 | 38.9 | 3 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.55 | 6.55 | 282.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 39.0 | nM | 7.41 | The compound was tested in vitro against the protozoa Entamoeba histolytica, for... | 12127542 |
| Entamoeba histolytica | IC50 | = | 38.9 | nM | 7.41 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Entamoeba histolytica | IC50 | = | 39.0 | nM | 7.41 | Antiprotozoan activity against Entamoeba histolytica HM1-IMSS trophozoites compo... | 22047694 |
| Giardia intestinalis | IC50 | = | 282.0 | nM | 6.55 | The compound was tested in vitro against the protozoa Giardia lamblia, for the i... | 12127542 |
| Giardia intestinalis | IC50 | = | 282.0 | nM | 6.55 | Antiprotozoan activity against Giardia intestinalis | 22047694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7120277 | 10.1021/jm00350a002 | Cytochrome P450 2B1 | 1 |
| 7120277 | 10.1021/jm00350a002 | No relevant target | 1 |
| 12127542 | 10.1016/s0960-894x(02)00346-3 | Giardia intestinalis | 1 |
| 12127542 | 10.1016/s0960-894x(02)00346-3 | Entamoeba histolytica | 1 |
| 12127542 | 10.1016/s0960-894x(02)00346-3 | Trichinella spiralis | 1 |
| 17074492 | 10.1016/j.bmc.2006.10.019 | Entamoeba histolytica | 1 |
| 22047694 | 10.1016/j.bmcl.2011.10.028 | Giardia intestinalis | 1 |
| 22047694 | 10.1016/j.bmcl.2011.10.028 | Entamoeba histolytica | 1 |
| 24262887 | 10.1016/j.bmc.2013.10.037 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine