Compound Detail
CHEMBL243903
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Basic Information
| ChEMBL ID | CHEMBL243903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMIVYOBIGWBDAE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.93
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.23 | 4.23 | 59100.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.04 | 4.04 | 90800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 4700.0 | nM | 5.33 | Cytotoxicity against human THP1 cells | 17418916 |
| Unchecked | IC50 | = | 59100.0 | nM | 4.23 | Binding affinity to DNA by DNA-methyl green bioassay | 17418916 |
| Leishmania infantum | IC50 | = | 90800.0 | nM | 4.04 | 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