Compound Detail
CHEMBL244123
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 | CHEMBL244123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVHHQYDVVNFVFI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
4.61
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 5.75 | 5.75 | 1760.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.06 | 4.06 | 86900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 1760.0 | nM | 5.75 | Cytotoxicity against human THP1 cells | 17418916 |
| Leishmania infantum | IC50 | = | 86900.0 | nM | 4.06 | Antipromastigote activity against Leishmania infantum | 17418916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17418916 | 10.1016/j.ejmech.2007.02.010 | Leishmania infantum | 1 |
| 17418916 | 10.1016/j.ejmech.2007.02.010 | Unchecked | 1 |
| 17418916 | 10.1016/j.ejmech.2007.02.010 | THP-1 | 1 |
| 17418916 | 10.1016/j.ejmech.2007.02.010 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine