Compound Detail
CHEMBL4785398
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Basic Information
| ChEMBL ID | CHEMBL4785398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBUDBGLELDASKI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
469.8
MW (Da)
6.18
ALogP
5
HBA
1
HBD
59.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.15 | 5.15 | 7130.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.6 | 4.6 | 25150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 320.0 | nM | 6.5 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 assessed as para... | 34095848 |
| Trypanosoma brucei rhodesiense | IC50 | = | 7130.0 | nM | 5.15 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... | 34095848 |
| L6 | IC50 | = | 25150.0 | nM | 4.6 | Cytotoxicity against rat L6 cells assessed as reduction in cell viability after ... | 34095848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34095848 | 10.1039/d0md00277a | Unchecked | 2 |
| 34095848 | 10.1039/d0md00277a | Trypanosoma brucei brucei | 1 |
| 34095848 | 10.1039/d0md00277a | HEK293 | 1 |
| 34095848 | 10.1039/d0md00277a | Trypanosoma brucei rhodesiense | 1 |
| 34095848 | 10.1039/d0md00277a | L6 | 1 |
Data from ChEMBL 36 via Core Engine