Compound Detail
CHEMBL142854
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Basic Information
| ChEMBL ID | CHEMBL142854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAFCWCXGDJAPDZ-XBXARRHUSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
3.88
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.72 | 5.28 | 1900.0 | 4 |
| Leishmania donovani CHEMBL367 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1901.08 | nM | 5.72 | Inhibition of Plasmodium falciparum W2 | - |
| Plasmodium falciparum | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Plasmodium falciparum W2 | - |
| Plasmodium falciparum | IC50 | = | 11100.0 | nM | 4.96 | In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... | 8544179 |
| Plasmodium falciparum | IC50 | = | 19100.0 | nM | 4.72 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 8544179 |
| Leishmania donovani | IC50 | = | 26000.0 | nM | 4.58 | Tested in vitro for anti-leishmanial activity against Leishmania donovani | 9822551 |
| ADMET | IC50 | = | 74000.0 | nM | 4.13 | Inhibitory activity against phytohemagglutininin A-induced proliferation of huma... | 9822551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544179 | 10.1021/jm00026a010 | Plasmodium falciparum | 2 |
| - | 10.1007/s00044-011-9900-1 | Plasmodium falciparum | 2 |
| 8544179 | 10.1021/jm00026a010 | Unchecked | 1 |
| 9822551 | 10.1021/jm980410m | Leishmania donovani | 1 |
| 9822551 | 10.1021/jm980410m | ADMET | 1 |
Data from ChEMBL 36 via Core Engine