Compound Detail
CHEMBL2282862
TRANS-6-(3,5-DIMETHOXYSTYRYL)-3-PHENYLCOUMARIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2282862 |
| Name | TRANS-6-(3,5-DIMETHOXYSTYRYL)-3-PHENYLCOUMARIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDHPWRJPJAOQME-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
5.65
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 13500.0 | nM | 4.87 | Cytotoxicity against Homo sapiens (human) MCF7 cells assessed as growth inhibiti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0159-y | K562 | 1 |
| - | 10.1007/s00044-012-0159-y | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-012-0159-y | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine