Compound Detail
CHEMBL207954
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Basic Information
| ChEMBL ID | CHEMBL207954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIEGMKITKZWJHR-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.72
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
| Fatty acid synthase CHEMBL4512 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 19800.0 | nM | 4.7 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | 16722653 |
| Fatty acid synthase | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of FabZ | 16722653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16722653 | 10.1021/jm0600545 | Plasmodium falciparum | 2 |
| 16722653 | 10.1021/jm0600545 | Fatty acid synthase | 1 |
| 16722653 | 10.1021/jm0600545 | Enoyl-acyl-carrier protein reductase | 1 |
| 16722653 | 10.1021/jm0600545 | 3-oxoacyl-acyl-carrier protein reductase | 1 |
Data from ChEMBL 36 via Core Engine