Compound Detail
CHEMBL4439331
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Basic Information
| ChEMBL ID | CHEMBL4439331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKQLRROHCVQTQH-UFFVCSGVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.9
MW (Da)
4.43
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei gambiense CHEMBL613768 | IC50 | 5.65 | 5.65 | 2220.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei gambiense | IC50 | = | 2220.0 | nM | 5.65 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei gambien... | 31051403 |
| Unchecked | IC50 | = | 5220.0 | nM | 5.28 | Cytotoxicity against human AB943 cells assessed as reduction in cell viability a... | 31051403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31051403 | 10.1016/j.ejmech.2019.04.052 | Unchecked | 2 |
| 31051403 | 10.1016/j.ejmech.2019.04.052 | Trypanosoma brucei gambiense | 1 |
| 31051403 | 10.1016/j.ejmech.2019.04.052 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine