Compound Detail
CHEMBL228097
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Basic Information
| ChEMBL ID | CHEMBL228097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRAFGHWKNFRMCY-ZROIWOOFSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.50
ALogP
5
HBA
2
HBD
60.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Ki 2 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | Ki | 8.38 | 7.94 | 4.2 | 2 |
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase | Ki | = | 4.2 | nM | 8.38 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
| Enoyl-acyl-carrier protein reductase | Ki | = | 32.0 | nM | 7.5 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
| Enoyl-acyl-carrier protein reductase | IC50 | = | 35.0 | nM | 7.46 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
| Plasmodium falciparum | IC50 | = | 750.0 | nM | 6.12 | Growth inhibition of chloroquine-sensitive Plasmodium falciparum FCK2 in human e... | 17477517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17477517 | 10.1021/jm061257w | Enoyl-acyl-carrier protein reductase | 3 |
| 17477517 | 10.1021/jm061257w | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine