Compound Detail
CHEMBL4280027
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Basic Information
| ChEMBL ID | CHEMBL4280027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNCFIRBTWRLNBI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
3.06
ALogP
8
HBA
1
HBD
102.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.34
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent protein kinase CHEMBL2169724 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.34 | 5.34 | 4570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent protein kinase | IC50 | = | 33.0 | nM | 7.48 | Inhibition of Plasmodium falciparum protein kinase G | 30174152 |
| Plasmodium falciparum | EC50 | = | 4570.0 | nM | 5.34 | Antimalarial activity against Plasmodium falciparum after 48 hrs by microbeta sc... | 30174152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30174152 | 10.1016/j.bmcl.2018.08.028 | Plasmodium falciparum | 1 |
| 30174152 | 10.1016/j.bmcl.2018.08.028 | cGMP-dependent protein kinase | 1 |
Data from ChEMBL 36 via Core Engine