Compound Detail
CHEMBL2164255
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Basic Information
| ChEMBL ID | CHEMBL2164255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVXUMQUJFAYDTH-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
273.2
MW (Da)
1.53
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
IC50 7 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.51 | 8.035 | 3.1 | 4 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.13 | 7.09 | 74.0 | 2 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL5630 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.1 | nM | 8.51 | Inhibition of recombinant Plasmodium falciparum recombinant IspC using [3,4,5-13... | 22731758 |
| Unchecked | IC50 | = | 3.1 | nM | 8.51 | Inhibition of Plasmodium falciparum IspC expressed in recombinant Escherichia co... | 24032981 |
| Unchecked | IC50 | = | 3.1 | nM | 8.51 | Inhibition of Plasmodium falciparum Dxr | 25210872 |
| Plasmodium falciparum | IC50 | = | 74.0 | nM | 7.13 | Antimicrobial activity against chloroquine-resistant blood stage forms of Plasmo... | 24032981 |
| Plasmodium falciparum | IC50 | = | 90.0 | nM | 7.05 | Antimicrobial activity against chloroquine-sensitive blood stage forms of Plasmo... | 24032981 |
| Unchecked | IC50 | = | 243.0 | nM | 6.61 | Inhibition of Escherichia coli IspC by photometric assay | 24032981 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Mycobacterium tuberculosis IspC by photometric assay | 24032981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22731758 | 10.1021/jm300652f | Plasmodium falciparum | 2 |
| 24032981 | 10.1021/jm4012559 | Plasmodium falciparum | 2 |
| 24032981 | 10.1021/jm4012559 | Unchecked | 2 |
| 22731758 | 10.1021/jm300652f | Unchecked | 1 |
| 24032981 | 10.1021/jm4012559 | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1 |
| 25210872 | 10.1021/jm5010978 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine