Compound Detail
CHEMBL5282946
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Basic Information
| ChEMBL ID | CHEMBL5282946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGGYXWVZIKKADS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.92
ALogP
5
HBA
2
HBD
62.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium-dependent protein kinase 1 CHEMBL1908387 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium-dependent protein kinase 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Plasmodium falciparum CDPK1 | 34607244 |
| Plasmodium falciparum | IC50 | = | 5700.0 | nM | 5.24 | Antiplasmodial activity against Plasmodium falciparum assessed as inhibition of ... | 34607244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34607244 | 10.1016/j.ejmech.2021.113867 | Calcium-dependent protein kinase 1 | 1 |
| 34607244 | 10.1016/j.ejmech.2021.113867 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine