Compound Detail
CHEMBL1651836
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Basic Information
| ChEMBL ID | CHEMBL1651836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABGCTQYLJZGMBM-LLVKDONJSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.1
MW (Da)
2.84
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.6
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL4091 | IC50 | 6.92 | 6.92 | 119.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.6 | 6.6 | 250.0 | 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 | = | 119.0 | nM | 6.92 | Inhibition of Escherichia coli DXR | 21379374 |
| Plasmodium falciparum | EC50 | = | 250.0 | nM | 6.6 | Antimalarial activity against Plasmodium falciparum | 21379374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21379374 | 10.1021/ml100243r | Plasmodium falciparum | 1 |
| 21379374 | 10.1021/ml100243r | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1 |
Data from ChEMBL 36 via Core Engine