Compound Detail
CHEMBL59755
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Basic Information
| ChEMBL ID | CHEMBL59755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMOQQEQDHSENLC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.12
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | In vitro anti-protozoal activity against Plasmodium falciparum Ghana | 12781185 |
| Trypanosoma brucei | IC50 | = | 4000.0 | nM | 5.4 | In vitro anti-protozoal parasite activity against Trypanosoma brucei TB-1 | 12781185 |
| Trypanosoma cruzi | IC50 | = | 13000.0 | nM | 4.89 | In vitro anti-protozoal parasite activity against Trypanosoma cruzi TC-1 | 12781185 |
| MRC5 | IC50 | = | 13000.0 | nM | 4.89 | In vitro cytotoxicity against cell line MRC-5 | 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