Compound Detail
CHEMBL205091
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Basic Information
| ChEMBL ID | CHEMBL205091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQUOLLQTLQTTFU-CRCLSJGQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
195.1
MW (Da)
-0.60
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL4091 | IC50 | 6.5 | 6.5 | 313.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.7 | 5.69 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | IC50 | = | 313.0 | nM | 6.5 | Inhibition of recombinant Escherichia coli DXR | 16610809 |
| Plasmodium falciparum | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Plasmodium falciparum Dd2 | 16610809 |
| Plasmodium falciparum | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Plasmodium falciparum 3D7 | 16610809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610809 | 10.1021/jm051177c | Plasmodium falciparum | 2 |
| 16610809 | 10.1021/jm051177c | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1 |
Data from ChEMBL 36 via Core Engine