Compound Detail
CHEMBL567637
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Basic Information
| ChEMBL ID | CHEMBL567637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNNADPGXJASGIU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
0.79
ALogP
4
HBA
0
HBD
70.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin glutathione reductase CHEMBL6110 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Glutathione reductase, mitochondrial CHEMBL2755 | IC50 | 4.45 | 4.45 | 35200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin glutathione reductase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Schistosoma mansoni TGR | 19761212 |
| Glutathione reductase, mitochondrial | IC50 | = | 35200.0 | nM | 4.45 | Inhibition of human recombinant GR after 15 mins in presence of NADPH | 19761212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19761212 | 10.1021/jm901021k | Schistosoma mansoni | 7 |
| 10898655 | 10.1021/jf9904766 | Triticum aestivum | 4 |
| 18007386 | 10.3390/10091197 | Triticum aestivum | 3 |
| 19761212 | 10.1021/jm901021k | Unchecked | 2 |
| 19761212 | 10.1021/jm901021k | Thioredoxin glutathione reductase | 2 |
| 20889239 | 10.1016/j.ejmech.2010.09.034 | Triosephosphate isomerase, glycosomal | 2 |
| 19761212 | 10.1021/jm901021k | Thioredoxin reductase 1, cytoplasmic | 1 |
| 19761212 | 10.1021/jm901021k | Glutathione reductase, mitochondrial | 1 |
| 19761212 | 10.1021/jm901021k | No relevant target | 1 |
| 20889239 | 10.1016/j.ejmech.2010.09.034 | Trypanosoma cruzi | 1 |
| 20889239 | 10.1016/j.ejmech.2010.09.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine