Compound Detail
CHEMBL4469979
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Basic Information
| ChEMBL ID | CHEMBL4469979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCXVEEYDERXSPN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
4.52
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Leishmania infantum CHEMBL612848 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 1500.0 | nM | 5.82 | Antitrypanosomal activity against Trypanosoma brucei bloodstream form assessed a... | 31542713 |
| Leishmania infantum | EC50 | = | 6000.0 | nM | 5.22 | Antileishmanial activity against luciferase expressing intracellular amastigote ... | 31542713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31542713 | 10.1016/j.ejmech.2019.111676 | 786-0 | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | A549 | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | Cytochrome P450 1A2 | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | Cytochrome P450 2C9 | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | Cytochrome P450 2C19 | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | Cytochrome P450 2D6 | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | Cytochrome P450 3A4 | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | Leishmania infantum | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | Trypanosoma brucei | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | THP-1 | 1 |
| 31542713 | 10.1016/j.ejmech.2019.111676 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine