Compound Detail
CHEMBL4167821
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Basic Information
| ChEMBL ID | CHEMBL4167821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHXOJSHQYLLSHR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
0.83
ALogP
4
HBA
1
HBD
88.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 7300.0 | nM | 5.14 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei bru... | 29885575 |
| Leishmania infantum | IC50 | = | 11000.0 | nM | 4.96 | Antileishmanial activity against axenic amastigote stage of Leishmania infantum ... | 29885575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29885575 | 10.1016/j.ejmech.2018.06.001 | No relevant target | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | Leishmania infantum | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | HepG2 | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine