Compound Detail
CHEMBL540848
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Basic Information
| ChEMBL ID | CHEMBL540848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OARGPFMFRLLKPF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL323556 |
| Active Moiety | CHEMBL323556 |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
1.22
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.46
Ki 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.2 | 5.1 | 6309.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) | Ki | = | 3000.0 | nM | 5.52 | Displacement of ATP from protein kinase A (PKA) | 1992155 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of cAMP-dependent protein kinase (PKA). | 1992155 |
| Protein kinase C (PKC) | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of protein kinase C (PKC) | 1992155 |
| Protein kinase C (PKC) | Ki | = | 6000.0 | nM | 5.22 | Displacement of ATP from protein kinase C (PKC) | 1992155 |
| Plasmodium falciparum | IC50 | = | 6309.57 | nM | 5.2 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... | 19734910 |
| Plasmodium falciparum | IC50 | = | 6309.57 | nM | 5.2 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 3 |
| 1992155 | 10.1021/jm00105a012 | Protein kinase C (PKC) | 2 |
| 1992155 | 10.1021/jm00105a012 | cAMP-dependent protein kinase (PKA) | 2 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 8904648 | 10.1111/j.1476-5381.1996.tb15733.x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine