Compound Detail
CHEMBL347645
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Basic Information
| ChEMBL ID | CHEMBL347645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSBDFXRDZJMBSC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
135.2
MW (Da)
0.71
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.02
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 9500.0 | nM | 5.02 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00111C | MDA-MB-231 | 3 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| - | 10.1039/C3MD00111C | Unchecked | 2 |
| 850244 | 10.1021/jm00214a029 | Unchecked | 1 |
| 28029795 | 10.1021/acs.jnatprod.6b00948 | A549 | 1 |
| 28029795 | 10.1021/acs.jnatprod.6b00948 | Micrococcus luteus | 1 |
| 28029795 | 10.1021/acs.jnatprod.6b00948 | Escherichia coli | 1 |
| 28029795 | 10.1021/acs.jnatprod.6b00948 | Salmonella enterica | 1 |
| 28029795 | 10.1021/acs.jnatprod.6b00948 | Saccharomyces cerevisiae | 1 |
| 28029795 | 10.1021/acs.jnatprod.6b00948 | Staphylococcus aureus | 1 |
| 27919656 | 10.1016/j.bmcl.2016.11.069 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 2939242 | 10.1021/jm00155a005 | Alcohol dehydrogenase | 1 |
| - | 10.1039/C3MD00111C | ADMET | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| - | 10.1021/np50076a021 | Artemia | 1 |
| 2939242 | 10.1021/jm00155a005 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine