Compound Detail
CHEMBL71905
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Basic Information
| ChEMBL ID | CHEMBL71905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAADRTMPUSJNOI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
202.0
MW (Da)
2.45
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.23 | 7.23 | 58.9 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.66 | 6.66 | 218.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 59.0 | nM | 7.23 | The compound was tested in vitro against the protozoa Entamoeba histolytica, for... | 12127542 |
| Entamoeba histolytica | IC50 | = | 58.88 | nM | 7.23 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Giardia intestinalis | IC50 | = | 218.0 | nM | 6.66 | The compound was tested in vitro against the protozoa Giardia lamblia, for the i... | 12127542 |
| Human betaherpesvirus 5 | IC50 | = | 100000.0 | nM | 4.0 | Compound was evaluated for the antiviral activity against HCMV determined by usi... | 7562945 |
| HFF | IC50 | = | 100000.0 | nM | 4.0 | Compound was evaluated for the visual cytotoxicity scored on HFF cells at time o... | 7562945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562945 | 10.1021/jm00020a025 | Human betaherpesvirus 5 | 1 |
| 7562945 | 10.1021/jm00020a025 | Human alphaherpesvirus 1 | 1 |
| 7562945 | 10.1021/jm00020a025 | HFF | 1 |
| 7562945 | 10.1021/jm00020a025 | KB | 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 |
Data from ChEMBL 36 via Core Engine