Compound Detail
CHEMBL242978
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Basic Information
| ChEMBL ID | CHEMBL242978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDSSDNYEKLAZES-FNORWQNLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.97
ALogP
4
HBA
0
HBD
35.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.78 | 4.78 | 16700.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.65 | 4.65 | 22200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 7600.0 | nM | 5.12 | Cytotoxicity against human MCF7 cells by MTT microassay | 17320246 |
| NON-PROTEIN TARGET | IC50 | = | 16700.0 | nM | 4.78 | Cytotoxicity against human Hep 3B cells by MTT microassay | 17320246 |
| HT-29 | IC50 | = | 19400.0 | nM | 4.71 | Cytotoxicity against human HT29 cells by MTT microassay | 17320246 |
| A549 | IC50 | = | 22200.0 | nM | 4.65 | 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