Compound Detail
CHEMBL4214244
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C[C@H]1[C@H](OC(=O)CCC(=O)NCCCN(CCCCN(CCCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL4214244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIWIXEHPBCTTGF-ILADALDPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1668.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| L6 CHEMBL614793 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.3 | nM | 9.52 | Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum NF54... | 28988153 |
| L6 | IC50 | = | 11200.0 | nM | 4.95 | Cytotoxicity in rat L6 cells assessed as reduction in cell viability incubated f... | 28988153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28988153 | 10.1016/j.ejmech.2017.09.040 | Plasmodium falciparum | 2 |
| 28988153 | 10.1016/j.ejmech.2017.09.040 | Plasmodium berghei | 2 |
| 28988153 | 10.1016/j.ejmech.2017.09.040 | L6 | 1 |
| 28988153 | 10.1016/j.ejmech.2017.09.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine