Compound Detail
CHEMBL2441392
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 | CHEMBL2441392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDLGXLSORGREBI-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
339.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
EC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Leishmania infantum CHEMBL612848 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 5.5 | 5.2133 | 3200.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.8 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 180.0 | nM | 6.75 | Antitrypanosomal activity against Trypanosoma brucei brucei after 72 hrs by resa... | 28850227 |
| Leishmania donovani | EC50 | = | 1200.0 | nM | 5.92 | Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/ET... | 34711050 |
| Leishmania infantum | EC50 | = | 2700.0 | nM | 5.57 | Antileishmanial activity against amastigote stage of Leishmania infantum MHOM/MA... | 34711050 |
| PBMC | IC50 | = | 3200.0 | nM | 5.5 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced IL... | 24075731 |
| PBMC | IC50 | = | 5600.0 | nM | 5.25 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced IL... | 24075731 |
| PBMC | IC50 | = | 13000.0 | nM | 4.89 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 24075731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Leishmania infantum | 10 |
| 24075731 | 10.1016/j.bmcl.2013.08.096 | PBMC | 3 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | ADMET | 3 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Trypanosoma brucei brucei | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Mus musculus | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Peritoneal macrophage | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Leishmania donovani | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine