Compound Detail
CHEMBL187788
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 | CHEMBL187788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPNNFMWQOGXFLX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.70
ALogP
7
HBA
0
HBD
101.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Glutathione reductase CHEMBL5061 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Glutathione reductase, mitochondrial CHEMBL2755 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory concentration against Plasmodium falciparum FcBIR | 15537352 |
| Glutathione reductase | IC50 | = | 10800.0 | nM | 4.97 | Inhibitory concentration against Plasmodium falciparum glutathione reductase | 15537352 |
| Glutathione reductase, mitochondrial | IC50 | = | 27000.0 | nM | 4.57 | Inhibitory concentration against human glutathione reductase | 15537352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537352 | 10.1021/jm0497545 | Plasmodium falciparum | 1 |
| 15537352 | 10.1021/jm0497545 | MRC5 | 1 |
| 15537352 | 10.1021/jm0497545 | Glutathione reductase | 1 |
| 15537352 | 10.1021/jm0497545 | Glutathione reductase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine