Compound Detail
CHEMBL309135
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Basic Information
| ChEMBL ID | CHEMBL309135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDZYRENCLPUXAX-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
132.2
MW (Da)
1.87
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.15
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.5 | 6.5 | 317.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 7.0 | nM | 8.15 | The compound was tested in vitro against the protozoa Entamoeba histolytica, for... | 12127542 |
| Entamoeba histolytica | IC50 | = | 7.079 | nM | 8.15 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Giardia intestinalis | IC50 | = | 317.0 | nM | 6.5 | The compound was tested in vitro against the protozoa Giardia lamblia, for the i... | 12127542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17643992 | 10.1016/j.bmc.2007.04.010 | Human gammaherpesvirus 4 | 4 |
| 7097715 | 10.1021/jm00348a003 | Cytochrome P450 1A1 | 3 |
| 7097715 | 10.1021/jm00348a003 | Cytochrome P450 2B1 | 2 |
| 18486995 | 10.1016/j.ejmech.2008.03.043 | ADMET | 2 |
| 7120277 | 10.1021/jm00350a002 | Cytochrome P450 2B1 | 1 |
| 7120277 | 10.1021/jm00350a002 | No relevant target | 1 |
| 7097715 | 10.1021/jm00348a003 | 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 |
| 17416530 | 10.1016/j.bmc.2007.03.046 | Unchecked | 1 |
| 17643992 | 10.1016/j.bmc.2007.04.010 | Raji | 1 |
| 24900577 | 10.1021/ml300326v | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine