Compound Detail
CHEMBL136132
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Basic Information
| ChEMBL ID | CHEMBL136132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEMJRTWCBPRWFB-VMPITWQZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
367.2
MW (Da)
4.92
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.27 | 5.23 | 5400.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
| Leishmania donovani | IC50 | = | 6300.0 | nM | 5.2 | Tested in vitro for anti-leishmanial activity against Leishmania donovani | 9822551 |
| Plasmodium falciparum | IC50 | = | 6500.0 | nM | 5.19 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 by ... | 17112640 |
| ADMET | IC50 | = | 7800.0 | nM | 5.11 | Inhibitory activity against phytohemagglutininin A-induced proliferation of huma... | 9822551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728189 | 10.1021/jm0101747 | Mus musculus | 2 |
| 9822551 | 10.1021/jm980410m | Leishmania donovani | 1 |
| 9822551 | 10.1021/jm980410m | ADMET | 1 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 11728189 | 10.1021/jm0101747 | Unchecked | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine