Compound Detail
CHEMBL560540
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Basic Information
| ChEMBL ID | CHEMBL560540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCRKHWPIIFLZRQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.54
ALogP
6
HBA
2
HBD
67.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.98 | 7.98 | 10.4 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.19 | 6.19 | 647.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.44 | 5.44 | 3660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10.4 | nM | 7.98 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 19409677 |
| Trypanosoma brucei rhodesiense | IC50 | = | 647.0 | nM | 6.19 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 19409677 |
| Leishmania donovani | IC50 | = | 3660.0 | nM | 5.44 | Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D amastigo... | 19409677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19409677 | 10.1016/j.ejmech.2009.03.014 | Unchecked | 3 |
| 19409677 | 10.1016/j.ejmech.2009.03.014 | Trypanosoma brucei rhodesiense | 1 |
| 19409677 | 10.1016/j.ejmech.2009.03.014 | Plasmodium falciparum | 1 |
| 19409677 | 10.1016/j.ejmech.2009.03.014 | Leishmania donovani | 1 |
| 19409677 | 10.1016/j.ejmech.2009.03.014 | L6 | 1 |
Data from ChEMBL 36 via Core Engine