Compound Detail
CHEMBL4565179
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Basic Information
| ChEMBL ID | CHEMBL4565179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMSAOVLFLYMJON-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
3.16
ALogP
7
HBA
0
HBD
91.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 5.3 | 5.29 | 5011.9 | 2 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 5011.87 | nM | 5.3 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Giardia intestinalis | IC50 | = | 5200.0 | nM | 5.28 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Entamoeba histolytica | IC50 | = | 7800.0 | nM | 5.11 | 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 | Mycobacterium tuberculosis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Trypanosoma brucei brucei | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Entamoeba histolytica | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Staphylococcus aureus | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Escherichia coli | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Klebsiella pneumoniae | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Acinetobacter baumannii | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Pseudomonas aeruginosa | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Candida albicans | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Cryptococcus neoformans | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | HEK293 | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | HepG2 | 1 |
| - | 10.6019/CHEMBL4513134 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine