Compound Detail
CHEMBL441526
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Basic Information
| ChEMBL ID | CHEMBL441526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJRQQECDVUXBCO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.48
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.67
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 4.67 | 4.67 | 21600.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.39 | 4.39 | 40900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 21600.0 | nM | 4.67 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... | 30234295 |
| Plasmodium falciparum | IC50 | = | 40900.0 | nM | 4.39 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | 16722653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16722653 | 10.1021/jm0600545 | Plasmodium falciparum | 2 |
| 21073191 | 10.1021/jm101206p | BDNF/NT-3 growth factors receptor | 2 |
| 28049590 | 10.1016/j.bmcl.2016.12.051 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | 2 |
| 16722653 | 10.1021/jm0600545 | Fatty acid synthase | 1 |
| 16722653 | 10.1021/jm0600545 | Enoyl-acyl-carrier protein reductase | 1 |
| 16722653 | 10.1021/jm0600545 | 3-oxoacyl-acyl-carrier protein reductase | 1 |
| 30234295 | 10.1021/acs.jnatprod.8b00159 | Trypanosoma brucei rhodesiense | 1 |
| 30234295 | 10.1021/acs.jnatprod.8b00159 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine