Compound Detail
CHEMBL2407187
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 | CHEMBL2407187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDZIQZYFJOAVFY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.2
MW (Da)
5.03
ALogP
4
HBA
3
HBD
107.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Kd 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL5630 | Kd | 7.05 | 7.05 | 90.0 | 1 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL5630 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | Kd | = | 90.0 | nM | 7.05 | Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation cons... | 23819803 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured eve... | 23819803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23819803 | 10.1021/jm4006498 | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 3 |
| 23819803 | 10.1021/jm4006498 | Mycobacterium tuberculosis | 1 |
| 23819803 | 10.1021/jm4006498 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine