Compound Detail
CHEMBL60505
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Basic Information
| ChEMBL ID | CHEMBL60505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPNWONUSPYMVNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
1.73
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6000.0 | nM | 5.22 | In vitro anti-protozoal activity against Plasmodium falciparum Ghana | 12781185 |
| Trypanosoma brucei | IC50 | = | 10000.0 | nM | 5.0 | In vitro anti-protozoal parasite activity against Trypanosoma brucei TB-1 | 12781185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781185 | 10.1016/s0960-894x(03)00326-3 | Plasmodium falciparum | 1 |
| 12781185 | 10.1016/s0960-894x(03)00326-3 | Trypanosoma brucei | 1 |
| 12781185 | 10.1016/s0960-894x(03)00326-3 | Trypanosoma cruzi | 1 |
| 12781185 | 10.1016/s0960-894x(03)00326-3 | Leishmania infantum | 1 |
| 12781185 | 10.1016/s0960-894x(03)00326-3 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine