Compound Detail
CHEMBL218330
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Basic Information
| ChEMBL ID | CHEMBL218330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCPFKFALBAUCFR-ACCUITESSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.76
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.37 | 5.305 | 4300.0 | 4 |
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4300.0 | nM | 5.37 | Antimalarial activity against Plasmodium falciparum D6 | 16908136 |
| Plasmodium falciparum | IC50 | = | 4300.0 | nM | 5.37 | Antimalarial activity after 24 hrs against chloroquine-sensitive Plasmodium falc... | 19250824 |
| Plasmodium falciparum | IC50 | = | 5800.0 | nM | 5.24 | Antimalarial activity against Plasmodium falciparum W2 | 16908136 |
| Plasmodium falciparum | IC50 | = | 5800.0 | nM | 5.24 | Antimalarial activity after 24 hrs against chloroquine-resistant Plasmodium falc... | 19250824 |
| Protein kinase Pfmrk | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia ... | 19250824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908136 | 10.1016/j.bmcl.2006.08.009 | Plasmodium falciparum | 3 |
| 19250824 | 10.1016/j.bmcl.2009.02.042 | Plasmodium falciparum | 2 |
| 19250824 | 10.1016/j.bmcl.2009.02.042 | Protein kinase Pfmrk | 1 |
| 19250824 | 10.1016/j.bmcl.2009.02.042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine