Compound Detail
CHEMBL291613
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Basic Information
| ChEMBL ID | CHEMBL291613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZKKPTBZYNFSFX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.66
ALogP
3
HBA
4
HBD
141.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 4.48 | 4.48 | 33400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 2700.0 | nM | 5.57 | Inhibitory activity against Trypanosoma cruzi | 12781196 |
| Leishmania donovani | IC50 | = | 4200.0 | nM | 5.38 | Inhibitory activity against Leishmania donovani (amastigote) | 12781196 |
| Molecular identity unknown | IC50 | = | 33400.0 | nM | 4.48 | Cell toxicity was evaluated | 12781196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Leishmania donovani | 2 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Nucleic Acid | 2 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Trypanosoma cruzi | 1 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine