Compound Detail
CHEMBL5436061
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Basic Information
| ChEMBL ID | CHEMBL5436061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPNYSGPEOBYEDW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
3.49
ALogP
9
HBA
3
HBD
117.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.8 | 6.22 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 160.0 | nM | 6.8 | Inhibition of Plasmodium falciparum PKB incubated for 2 hrs by luciferin-reagent... | 38116430 |
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of Plasmodium falciparum NEK3 incubated for 2 hrs by luciferin-reagen... | 38116430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38116430 | 10.1021/acsmedchemlett.3c00354 | Unchecked | 7 |
| 38116430 | 10.1021/acsmedchemlett.3c00354 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine