Compound Detail
CHEMBL244122
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Basic Information
| ChEMBL ID | CHEMBL244122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYUVPHQTSWCBOX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.8
MW (Da)
5.25
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.54 | 5.24 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 1900.0 | nM | 5.72 | Cytotoxicity against human THP1 cells | 17418916 |
| Leishmania infantum | IC50 | = | 2900.0 | nM | 5.54 | Antiamastigote activity against Leishmania infantum | 17418916 |
| Leishmania infantum | IC50 | = | 11500.0 | nM | 4.94 | Antipromastigote activity against Leishmania infantum | 17418916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17418916 | 10.1016/j.ejmech.2007.02.010 | Leishmania infantum | 2 |
| 17418916 | 10.1016/j.ejmech.2007.02.010 | Unchecked | 1 |
| 17418916 | 10.1016/j.ejmech.2007.02.010 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine