Compound Detail
CHEMBL242123
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Basic Information
| ChEMBL ID | CHEMBL242123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYFBJAFPDJWVSF-VOTSOKGWSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
3.66
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 5 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 3800.0 | nM | 5.42 | Cytotoxicity against human MCF7 cells by MTT microassay | 17320246 |
| NON-PROTEIN TARGET | IC50 | = | 8400.0 | nM | 5.08 | Cytotoxicity against human Hep 3B cells by MTT microassay | 17320246 |
| A549 | IC50 | = | 11000.0 | nM | 4.96 | Cytotoxicity against human A549 cells by MTT microassay | 17320246 |
| HT-29 | IC50 | = | 13300.0 | nM | 4.88 | Cytotoxicity against human HT29 cells by MTT microassay | 17320246 |
| Neutrophil | IC50 | = | 14600.0 | nM | 4.84 | Inhibition of 5 ug/ml CB-stimulated Lysozyme release from rat neutrophils | 17320246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17320246 | 10.1016/j.ejmech.2006.12.009 | Neutrophil | 7 |
| 17320246 | 10.1016/j.ejmech.2006.12.009 | Unchecked | 4 |
| 17320246 | 10.1016/j.ejmech.2006.12.009 | RAW | 4 |
| 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