Compound Detail
CHEMBL134615
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Basic Information
| ChEMBL ID | CHEMBL134615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXMRBOOZUWPZPG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
3.03
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
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 |
|---|---|---|---|---|---|
| Glutathione reductase, mitochondrial CHEMBL2755 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Glutathione reductase CHEMBL5061 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione reductase, mitochondrial | IC50 | = | 2700.0 | nM | 5.57 | In vitro inhibition of human Glutathione Reductase | 11708927 |
| Glutathione reductase | IC50 | = | 4000.0 | nM | 5.4 | In vitro inhibition of Plasmodium falciparum Glutathione Reductase | 11708927 |
| Plasmodium falciparum | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory concentration against Plasmodium falciparum FcBIR | 15537352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708927 | 10.1021/jm010268g | Glutathione reductase | 2 |
| 11708927 | 10.1021/jm010268g | Glutathione reductase, mitochondrial | 2 |
| 30996858 | 10.1039/C8MD00582F | HepG2 | 2 |
| 11708927 | 10.1021/jm010268g | Plasmodium falciparum | 1 |
| 11170645 | 10.1021/jm001079l | Trypanothione reductase | 1 |
| 11170645 | 10.1021/jm001079l | ADMET | 1 |
| 11170645 | 10.1021/jm001079l | Trypanosoma cruzi | 1 |
| 11170645 | 10.1021/jm001079l | Trypanosoma brucei | 1 |
| 15537352 | 10.1021/jm0497545 | Plasmodium falciparum | 1 |
| 15537352 | 10.1021/jm0497545 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine