Compound Detail
CHEMBL4749932
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Basic Information
| ChEMBL ID | CHEMBL4749932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHRALMSRENAZFA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
6.95
ALogP
5
HBA
1
HBD
59.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.33 | 5.33 | 4630.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.2 | 5.2 | 6380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 4630.0 | nM | 5.33 | Cytotoxicity against human HEK293 cells assessed as reduction in cell viability ... | 34095848 |
| Trypanosoma brucei brucei | IC50 | = | 6380.0 | nM | 5.2 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 assessed as para... | 34095848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34095848 | 10.1039/d0md00277a | Trypanosoma brucei brucei | 1 |
| 34095848 | 10.1039/d0md00277a | HEK293 | 1 |
| 34095848 | 10.1039/d0md00277a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine