Compound Detail
CHEMBL380319
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Basic Information
| ChEMBL ID | CHEMBL380319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUPJKMGSDFIKFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
209.1
MW (Da)
-0.21
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL4091 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of recombinant Escherichia coli DXR | 16610809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610809 | 10.1021/jm051177c | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1 |
Data from ChEMBL 36 via Core Engine