Compound Detail
CHEMBL4878609
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Basic Information
| ChEMBL ID | CHEMBL4878609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJICWGRXVFZVSL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.40
ALogP
4
HBA
2
HBD
95.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.49 | 4.49 | 32300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 18700.0 | nM | 4.73 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 measure... | 34146914 |
| L6 | IC50 | = | 32300.0 | nM | 4.49 | Cytotoxicity against rat L6 cells by Alamar blue assay | 34146914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34146914 | 10.1016/j.ejmech.2021.113625 | Trypanosoma brucei rhodesiense | 2 |
| 34146914 | 10.1016/j.ejmech.2021.113625 | ADMET | 2 |
| 34146914 | 10.1016/j.ejmech.2021.113625 | L6 | 1 |
| 34146914 | 10.1016/j.ejmech.2021.113625 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine