Compound Detail
CHEMBL393950
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Basic Information
| ChEMBL ID | CHEMBL393950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STVSJGZHUJJREA-AEFFLSMTSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
2.82
ALogP
4
HBA
4
HBD
120.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Ki 1 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.98 | 7.98 | 10.4 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.89 | 4.6467 | 13000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10.4 | nM | 7.98 | Inhibition of Plasmodium falciparum recombinant M17 LAP | 17960925 |
| Plasmodium falciparum | IC50 | = | 13000.0 | nM | 4.89 | Antimalarial activity after 48 hrs against multidrug-resistant Plasmodium falcip... | 17960925 |
| Plasmodium falciparum | IC50 | = | 19000.0 | nM | 4.72 | Antimalarial activity after 48 hrs against drug-sensitive Plasmodium falciparum ... | 17960925 |
| Plasmodium falciparum | IC50 | = | 47000.0 | nM | 4.33 | 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 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine