Compound Detail
CHEMBL5414462
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5414462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSZJVJUCVYMQTC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
5.61
ALogP
5
HBA
0
HBD
50.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Leishmania aethiopica CHEMBL612651 | IC50 | 5.65 | 5.65 | 2240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 160.0 | nM | 6.8 | Antileishmanial activity against Leishmania donovani promastigotes assessed as i... | 36493616 |
| Leishmania aethiopica | IC50 | = | 2240.0 | nM | 5.65 | Antileishmanial activity against Leishmania aethiopica amastigotes assessed as i... | 36493616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36493616 | 10.1016/j.ejmech.2022.115002 | Leishmania donovani | 1 |
| 36493616 | 10.1016/j.ejmech.2022.115002 | Leishmania aethiopica | 1 |
Data from ChEMBL 36 via Core Engine