Compound Detail
CHEMBL4563622
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Basic Information
| ChEMBL ID | CHEMBL4563622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPYQBVCNJJIWES-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
2.66
ALogP
7
HBA
0
HBD
91.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.96 | 5.93 | 1100.0 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 5.6 | 5.575 | 2511.9 | 2 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.8 | 4.8 | 15848.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 1100.0 | nM | 5.96 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... | 30468386 |
| Trypanosoma brucei brucei | IC50 | = | 1258.93 | nM | 5.9 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... | 30468386 |
| Giardia intestinalis | IC50 | = | 2511.89 | nM | 5.6 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Giardia intestinalis | IC50 | = | 2800.0 | nM | 5.55 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Entamoeba histolytica | IC50 | = | 16000.0 | nM | 4.8 | Antiparasitic activity against Entamoeba histolytica HM-1:IMSS trophozoites afte... | 30468386 |
| Entamoeba histolytica | IC50 | = | 15848.93 | nM | 4.8 | Antiparasitic activity against Entamoeba histolytica HM-1:IMSS trophozoites afte... | 30468386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine