Compound Detail
CHEMBL4459697
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Basic Information
| ChEMBL ID | CHEMBL4459697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAFRZXPNNXEBRQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
3.42
ALogP
7
HBA
0
HBD
91.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 5.13 | 5.115 | 7400.0 | 2 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.02 | 5.01 | 9500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 7400.0 | nM | 5.13 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Giardia intestinalis | IC50 | = | 7943.28 | nM | 5.1 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Entamoeba histolytica | IC50 | = | 9500.0 | nM | 5.02 | Antiparasitic activity against Entamoeba histolytica HM-1:IMSS trophozoites afte... | 30468386 |
| Entamoeba histolytica | IC50 | = | 10000.0 | nM | 5.0 | Antiparasitic activity against Entamoeba histolytica HM-1:IMSS trophozoites afte... | 30468386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30468386 | 10.1021/acs.jmedchem.8b01578 | ADMET | 5 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Giardia intestinalis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Entamoeba histolytica | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Mycobacterium tuberculosis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Trypanosoma brucei brucei | 2 |
| - | 10.6019/CHEMBL4513134 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine