Compound Detail
CHEMBL231082
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 | CHEMBL231082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJHJGLPARRTXCQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.69
ALogP
3
HBA
6
HBD
123.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| L6 CHEMBL614793 | IC50 | 7.0 | 7.0 | 100.3 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.81 | 6.81 | 154.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.6 | nM | 8.44 | Antiparasitic activity against Plasmodium falciparum K1 | 17178177 |
| Leishmania donovani | IC50 | = | 6.7 | nM | 8.17 | Antiparasitic activity against Leishmania donovani | 17178177 |
| Trypanosoma brucei rhodesiense | IC50 | = | 28.0 | nM | 7.55 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 | 17178177 |
| L6 | IC50 | = | 100.3 | nM | 7.0 | Cytotoxicity against rat L6 cells by alamar blue assay | 17178177 |
| Trypanosoma cruzi | IC50 | = | 154.0 | nM | 6.81 | Antiparasitic activity against Trypanosoma cruzi Tulahuen LacZ C4 | 17178177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17178177 | 10.1016/j.ejmech.2006.11.006 | Trypanosoma brucei rhodesiense | 2 |
| 17178177 | 10.1016/j.ejmech.2006.11.006 | Plasmodium falciparum | 1 |
| 17178177 | 10.1016/j.ejmech.2006.11.006 | Leishmania donovani | 1 |
| 17178177 | 10.1016/j.ejmech.2006.11.006 | Trypanosoma cruzi | 1 |
| 17178177 | 10.1016/j.ejmech.2006.11.006 | L6 | 1 |
| 17178177 | 10.1016/j.ejmech.2006.11.006 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine