Compound Detail
CHEMBL380142
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL380142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKYGVTJLHPMWIU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
1.54
ALogP
4
HBA
3
HBD
107.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.57 | 6.32 | 270.0 | 2 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL4091 | IC50 | 6.34 | 6.34 | 459.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 270.0 | nM | 6.57 | Antimalarial activity against Plasmodium falciparum Dd2 | 16439126 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | IC50 | = | 459.0 | nM | 6.34 | Inhibition of recombinant Escherichia coli DXR | 16439126 |
| Plasmodium falciparum | IC50 | = | 850.0 | nM | 6.07 | Antimalarial activity against Plasmodium falciparum 3D7 | 16439126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16439126 | 10.1016/j.bmcl.2005.12.082 | Plasmodium falciparum | 2 |
| 16439126 | 10.1016/j.bmcl.2005.12.082 | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1 |
Data from ChEMBL 36 via Core Engine