Compound Detail
CHEMBL397859
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Basic Information
| ChEMBL ID | CHEMBL397859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YELFFBLGULIHGX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
1.08
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 CHEMBL1795135 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.67 | 4.67 | 21600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Escherichia coli FabH | 17189694 |
| Plasmodium falciparum | IC50 | = | 21600.0 | nM | 4.67 | Antimalarial activity against Plasmodium falciparum D6 | 17189694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17189694 | 10.1016/j.bmcl.2006.11.067 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | 1 |
| 17189694 | 10.1016/j.bmcl.2006.11.067 | Plasmodium falciparum | 1 |
| 17189694 | 10.1016/j.bmcl.2006.11.067 | Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
| 17189694 | 10.1016/j.bmcl.2006.11.067 | Escherichia coli | 1 |
| 17189694 | 10.1016/j.bmcl.2006.11.067 | Beta-ketoacyl-ACP-synthase III | 1 |
Data from ChEMBL 36 via Core Engine