Compound Detail
CHEMBL97218
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Basic Information
| ChEMBL ID | CHEMBL97218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAPTUZLISRNFKN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.98
ALogP
4
HBA
2
HBD
62.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 4.75 | 4.75 | 18000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase Pfmrk | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of Plasmodium falciparum cyclin dependent protein kinase (Pfmrk) | 11597420 |
| Protein kinase Pfmrk | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of Plasmodium falciparum cyclin-dependent kinase | 15481979 |
| Protein kinase Pfmrk | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of Plasmodium falciparum MRK | 29771541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597420 | 10.1016/s0960-894x(01)00578-9 | Protein kinase Pfmrk | 1 |
| 15481979 | 10.1021/jm040108f | Protein kinase Pfmrk | 1 |
| 29771541 | 10.1021/acs.jmedchem.8b00329 | Protein kinase Pfmrk | 1 |
Data from ChEMBL 36 via Core Engine