Compound Detail
CHEMBL1836621
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Basic Information
| ChEMBL ID | CHEMBL1836621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBKDSOFTLPIJDJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
4.99
ALogP
4
HBA
1
HBD
39.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanothione reductase CHEMBL1837 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanothione reductase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei... | 21851087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21851087 | 10.1021/jm200312v | Trypanothione reductase | 1 |
Data from ChEMBL 36 via Core Engine