Compound Detail
CHEMBL363887
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Basic Information
| ChEMBL ID | CHEMBL363887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNABWRKAQZQUMN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
261.1
MW (Da)
3.13
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 4.42 | 4.42 | 38000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase Pfmrk | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of Plasmodium falciparum cyclin-dependent kinase | 15481979 |
| Protein kinase Pfmrk | IC50 | = | 38300.0 | nM | 4.42 | Inhibition of Plasmodium falciparum cyclin-dependent kinase | 15481979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481979 | 10.1021/jm040108f | Protein kinase Pfmrk | 2 |
Data from ChEMBL 36 via Core Engine