Compound Detail
CHEMBL5399438
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Basic Information
| ChEMBL ID | CHEMBL5399438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEEVKLWVICUUTA-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.4
MW (Da)
4.48
ALogP
8
HBA
3
HBD
108.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.43 | 6.13 | 37.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 37.0 | nM | 7.43 | Inhibition of Plasmodium falciparum PKB incubated for 2 hrs by luciferin-reagent... | 38116430 |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Inhibition of Plasmodium falciparum NEK3 incubated for 2 hrs by luciferin-reagen... | 38116430 |
| Unchecked | IC50 | = | 590.0 | nM | 6.23 | Inhibition of Plasmodium falciparum PK9 incubated for 2 hrs by luciferin-reagent... | 38116430 |
| Unchecked | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of Plasmodium falciparum ARK1 incubated for 2 hrs by luciferin-reagen... | 38116430 |
| Unchecked | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of Plasmodium falciparum ARK3 incubated for 2 hrs by luciferin-reagen... | 38116430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38116430 | 10.1021/acsmedchemlett.3c00354 | Unchecked | 10 |
| 38116430 | 10.1021/acsmedchemlett.3c00354 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine