Compound Detail
CHEMBL446640
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Basic Information
| ChEMBL ID | CHEMBL446640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHXOJKQHTRABPQ-FARCUNLSSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.99
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.92 | 4.915 | 12000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase Pfmrk | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia ... | 19250824 |
| Plasmodium falciparum | IC50 | = | 12000.0 | nM | 4.92 | Antimalarial activity after 24 hrs against chloroquine-sensitive Plasmodium falc... | 19250824 |
| Plasmodium falciparum | IC50 | = | 12200.0 | nM | 4.91 | Antimalarial activity after 24 hrs against chloroquine-resistant Plasmodium falc... | 19250824 |
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of His6x-tagged Plasmodium falciparum PfPK5 expressed in Escherichia ... | 19250824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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