Compound Detail
CHEMBL4782040
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Basic Information
| ChEMBL ID | CHEMBL4782040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AADDYBZNYIXRFF-BLYIZYRKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
0.84
ALogP
7
HBA
2
HBD
89.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| MRC5 CHEMBL614181 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 2600.0 | nM | 5.58 | Antitrypanosomal activity against Trypanosoma brucei brucei assessed as reductio... | 31931339 |
| MRC5 | EC50 | = | 2700.0 | nM | 5.57 | Cytotoxicity against human MRC5 cells assessed as reduction in cell viability in... | 31931339 |
| Trypanosoma brucei rhodesiense | EC50 | = | 3700.0 | nM | 5.43 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense assessed as red... | 31931339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31931339 | 10.1016/j.ejmech.2019.112018 | Unchecked | 2 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Trypanosoma brucei brucei | 1 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Trypanosoma brucei rhodesiense | 1 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine