Compound Detail
CHEMBL534524
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Basic Information
| ChEMBL ID | CHEMBL534524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDJIXMMIBFEFIF-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
1.68
ALogP
7
HBA
5
HBD
101.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.08
Kd 3 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.78 | 6.6867 | 166.0 | 3 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.08 | 6.07 | 830.0 | 2 |
| Leishmania donovani CHEMBL367 | EC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 166.0 | nM | 6.78 | Binding affinity to biotin labelled 5'-CGAATTCGTCTCCGAATTCG-3' hairpin dsDNA (un... | - |
| Unchecked | Kd | = | 170.0 | nM | 6.77 | Binding affinity to biotin tagged hairpin DNA 5'-CGAATTCGTCTCCGAATTCG-3' (unknow... | 37729094 |
| Unchecked | Kd | = | 307.0 | nM | 6.51 | Binding affinity to biotin labelled 5'-CATATATATCCCCATATATATG-3' hairpin dsDNA (... | - |
| Trypanosoma brucei brucei | EC50 | = | 830.0 | nM | 6.08 | Trypanocidal activity against wild type bloodstream form of Trypanosoma brucei b... | 26231081 |
| Trypanosoma brucei brucei | EC50 | = | 870.0 | nM | 6.06 | Trypanocidal activity against diminazene/pentamidine/melaminophenyl arsenicals-r... | 26231081 |
| Leishmania donovani | EC50 | = | 4300.0 | nM | 5.37 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 promastigote... | 37729094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00292C | Unchecked | 6 |
| 26231081 | 10.1016/j.ejmech.2015.07.013 | Trypanosoma brucei brucei | 5 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | Unchecked | 3 |
| 24900577 | 10.1021/ml300326v | No relevant target | 1 |
| 26231081 | 10.1016/j.ejmech.2015.07.013 | Unchecked | 1 |
| 26231081 | 10.1016/j.ejmech.2015.07.013 | HEK-293T | 1 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | Trypanosoma cruzi | 1 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | L929 | 1 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | Leishmania donovani | 1 |
| 37729094 | 10.1021/acs.jmedchem.3c00697 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine