Compound Detail
CHEMBL2325751
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CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(CCOCC(Cn1cnc2c(=O)[nH]cnc21)OCCP(=O)(N[C@@H](Cc1ccccc1)C(=O)OCC)N[C@@H](Cc1ccccc1)C(=O)OCC)N[C@@H](Cc1ccccc1)C(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL2325751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXGNXDUUQRQDFF-OLNDBSRMSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
1127.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.72 | 5.3625 | 1900.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1900.0 | nM | 5.72 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 28813147 |
| Plasmodium falciparum | IC50 | = | 3600.0 | nM | 5.44 | Antimalarial activity against Plasmodium falciparum D6 infected in type O+ human... | 28813147 |
| Plasmodium falciparum | IC50 | = | 6600.0 | nM | 5.18 | Antimalarial activity against wild type early trophozoite stage of Plasmodium fa... | 23448281 |
| Plasmodium falciparum | IC50 | = | 7700.0 | nM | 5.11 | Antimalarial activity against chloroquine and pyrimethamine-resistant early trop... | 23448281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23448281 | 10.1021/jm301893b | Plasmodium falciparum | 2 |
| 28813147 | 10.1021/acs.jmedchem.7b00926 | Plasmodium falciparum | 2 |
| 23448281 | 10.1021/jm301893b | ADMET | 1 |
| 23448281 | 10.1021/jm301893b | C32 | 1 |
| 23448281 | 10.1021/jm301893b | A549 | 1 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Mycobacterium tuberculosis | 1 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | A549 | 1 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Unchecked | 1 |
| 28813147 | 10.1021/acs.jmedchem.7b00926 | Unchecked | 1 |
| 28813147 | 10.1021/acs.jmedchem.7b00926 | A549 | 1 |
Data from ChEMBL 36 via Core Engine