Compound Detail
CHEMBL3342262
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 | CHEMBL3342262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUULKKFHGAQKEF-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.2
MW (Da)
0.74
ALogP
5
HBA
3
HBD
116.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.51 | 6.2867 | 310.0 | 3 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL4091 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL5630 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Plasmodium falciparum IspC using 1-deoxy-D-xylulose 5-phosphate as... | 25254502 |
| Plasmodium falciparum | IC50 | = | 310.0 | nM | 6.51 | Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum 3D7 a... | 25254502 |
| Plasmodium falciparum | IC50 | = | 410.0 | nM | 6.39 | Antimicrobial activity against multidrug-resistant Plasmodium falciparum FCR3 as... | 25254502 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-p... | 25254502 |
| Plasmodium falciparum | IC50 | = | 1100.0 | nM | 5.96 | Antimicrobial activity against chloroquine-resistant Plasmodium falciparum Dd2 a... | 25254502 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of Mycobacterium tuberculosis IspC using 1-deoxy-D-xylulose 5-phospha... | 25254502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25254502 | 10.1021/jm500850y | Plasmodium falciparum | 3 |
| 25254502 | 10.1021/jm500850y | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 2 |
| 25254502 | 10.1021/jm500850y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine