Compound Detail
CHEMBL4291946
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Basic Information
| ChEMBL ID | CHEMBL4291946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPIMFQFPRUMPDZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
3.87
ALogP
8
HBA
2
HBD
69.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent protein kinase CHEMBL2169724 | IC50 | 6.83 | 6.83 | 149.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent protein kinase | IC50 | = | 149.0 | nM | 6.83 | Inhibition of Plasmodium falciparum protein kinase G | 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