Compound Detail
CHEMBL242749
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Basic Information
| ChEMBL ID | CHEMBL242749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLFQOVIMDZCSQD-HWKANZROSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
3.19
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.74 | 4.74 | 18200.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.66 | 4.66 | 22100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity against human Hep 3B cells by MTT microassay | 17320246 |
| MCF7 | IC50 | = | 18200.0 | nM | 4.74 | Cytotoxicity against human MCF7 cells by MTT microassay | 17320246 |
| HT-29 | IC50 | = | 21300.0 | nM | 4.67 | Cytotoxicity against human HT29 cells by MTT microassay | 17320246 |
| A549 | IC50 | = | 22100.0 | nM | 4.66 | Cytotoxicity against human A549 cells by MTT microassay | 17320246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17320246 | 10.1016/j.ejmech.2006.12.009 | A549 | 1 |
| 17320246 | 10.1016/j.ejmech.2006.12.009 | NON-PROTEIN TARGET | 1 |
| 17320246 | 10.1016/j.ejmech.2006.12.009 | HT-29 | 1 |
| 17320246 | 10.1016/j.ejmech.2006.12.009 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine