Compound Detail
CHEMBL244685
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Basic Information
| ChEMBL ID | CHEMBL244685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSWKBJOELKEXST-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
453.4
MW (Da)
6.17
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 7.52 | 6.645 | 30.0 | 2 |
| THP-1 CHEMBL614245 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 30.0 | nM | 7.52 | Antiamastigote activity against Leishmania infantum | 17418916 |
| THP-1 | IC50 | = | 770.0 | nM | 6.11 | Cytotoxicity against human THP1 cells | 17418916 |
| Leishmania infantum | IC50 | = | 1700.0 | nM | 5.77 | 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 | 2 |
| 19217190 | 10.1016/j.ejmech.2009.01.010 | CHO | 2 |
| 19217190 | 10.1016/j.ejmech.2009.01.010 | ADMET | 2 |
| 19217190 | 10.1016/j.ejmech.2009.01.010 | CHO-K1 | 2 |
| 17418916 | 10.1016/j.ejmech.2007.02.010 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine