Compound Detail
CHEMBL4777056
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Basic Information
| ChEMBL ID | CHEMBL4777056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVTULPYLXWLACV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.7
MW (Da)
5.04
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 2800.0 | nM | 5.55 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 infected ... | 33479668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479668 | 10.1039/d0md00058b | HEK293 | 1 |
| 33479668 | 10.1039/d0md00058b | Trypanosoma brucei brucei | 1 |
| 33479668 | 10.1039/d0md00058b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine