Compound Detail
CHEMBL393949
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Basic Information
| ChEMBL ID | CHEMBL393949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QELOIXSGJMIHBZ-MSOLQXFVSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.12
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.7
Ki 2 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.88 | 7.88 | 13.2 | 1 |
| Cytosol aminopeptidase CHEMBL3965 | Ki | 6.0 | 6.0 | 988.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.7 | 4.5533 | 20000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 13.2 | nM | 7.88 | Inhibition of Plasmodium falciparum recombinant M17 LAP | 17960925 |
| Cytosol aminopeptidase | Ki | = | 988.0 | nM | 6.0 | Inhibition of pig kidney cytosolic leucine aminopeptidase | 18262419 |
| Plasmodium falciparum | IC50 | = | 20000.0 | nM | 4.7 | Antimalarial activity after 48 hrs against multidrug-resistant Plasmodium falcip... | 17960925 |
| Plasmodium falciparum | IC50 | = | 24000.0 | nM | 4.62 | Antimalarial activity after 48 hrs against drug-sensitive Plasmodium falciparum ... | 17960925 |
| Plasmodium falciparum | IC50 | = | 46000.0 | nM | 4.34 | Antimalarial activity after 48 hrs against Plasmodium falciparum D10 by [3H]hypo... | 17960925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17960925 | 10.1021/jm070733v | Plasmodium falciparum | 3 |
| 17960925 | 10.1021/jm070733v | Plasmodium chabaudi | 2 |
| 17960925 | 10.1021/jm070733v | Mus musculus | 2 |
| 17960925 | 10.1021/jm070733v | Unchecked | 1 |
| 18262419 | 10.1016/j.bmcl.2008.01.107 | Cytosol aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine