Compound Detail
CHEMBL2348318
TYROSOL CAFFEATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2348318 |
| Name | TYROSOL CAFFEATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEHXJVMBVRMECV-XBXARRHUSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.60
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.34 | 4.3025 | 45800.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 45800.0 | nM | 4.34 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 27979593 |
| NON-PROTEIN TARGET | IC50 | = | 49400.0 | nM | 4.31 | Antiproliferative activity against human ECA109 cells after 48 hrs by MTT assay | 27979593 |
| NON-PROTEIN TARGET | IC50 | = | 51900.0 | nM | 4.29 | Antiproliferative activity against human DU145 cells after 48 hrs by MTT assay | 27979593 |
| NON-PROTEIN TARGET | IC50 | = | 53200.0 | nM | 4.27 | Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay | 27979593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23403296 | 10.1016/j.bmc.2012.12.050 | MDA-MB-231 | 4 |
| 27979593 | 10.1016/j.bmcl.2016.12.007 | NON-PROTEIN TARGET | 4 |
| 23403296 | 10.1016/j.bmc.2012.12.050 | MCF-10A | 2 |
| 23403296 | 10.1016/j.bmc.2012.12.050 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine