Compound Detail
CHEMBL253672
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Basic Information
| ChEMBL ID | CHEMBL253672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMLVULZDLAMOCO-XYOKQWHBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.16
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 650.0 | nM | 6.19 | Inhibition of Leishmania donovani amastigotes in human monocyte-derived macropha... | 17112640 |
| Leishmania major | IC50 | = | 4000.0 | nM | 5.4 | Growth inhibition of Leishmania major promastigotes assessed as [3H]thymidine in... | 17112640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Unchecked | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Leishmania major | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine