Compound Detail
CHEMBL46010
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL46010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTNIUXLNOKNKGA-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.24
ALogP
5
HBA
6
HBD
155.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.89 | 5.3 | 1300.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 5.28 | 5.005 | 5200.0 | 2 |
| Molecular identity unknown CHEMBL612546 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory activity against Trypanosoma cruzi | 12781196 |
| Leishmania donovani | IC50 | = | 5200.0 | nM | 5.28 | Inhibitory activity against Leishmania donovani (macrophage) | 12781196 |
| Leishmania donovani | IC50 | = | 18700.0 | nM | 4.73 | Inhibitory activity against Leishmania donovani (amastigote) | 12781196 |
| Trypanosoma cruzi | IC50 | = | 19400.0 | nM | 4.71 | Antitrypanosomal activity against Trypanosoma cruzi Y bloodstream trypomastigote... | 17698624 |
| Molecular identity unknown | IC50 | = | 20000.0 | nM | 4.7 | Cell toxicity was evaluated | 12781196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698624 | 10.1128/aac.00047-07 | Trypanosoma cruzi | 10 |
| 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