Compound Detail
CHEMBL117535
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Basic Information
| ChEMBL ID | CHEMBL117535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRQTZHXBTJFUNY-VXGBXAGGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
0.75
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 3500.0 | nM | 5.46 | In vitro antiparasitic activity was determined against Trypanosoma brucei | 15189039 |
| Leishmania donovani | IC50 | = | 30000.0 | nM | 4.52 | In vitro antiparasitic activity was determined against Leishmania donovani | 15189039 |
| L6 | IC50 | = | 37000.0 | nM | 4.43 | In vitro cytotoxic activity against L6 cells | 15189039 |
| Plasmodium falciparum | IC50 | = | 53000.0 | nM | 4.28 | In vitro antiparasitic activity against Plasmodium falciparum | 15189039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15189039 | 10.1021/jm031066i | Trypanosoma brucei | 1 |
| 15189039 | 10.1021/jm031066i | Trypanosoma cruzi | 1 |
| 15189039 | 10.1021/jm031066i | Leishmania donovani | 1 |
| 15189039 | 10.1021/jm031066i | Plasmodium falciparum | 1 |
| 15189039 | 10.1021/jm031066i | L6 | 1 |
Data from ChEMBL 36 via Core Engine