Compound Detail
CHEMBL2282869
TRANS-3-(3,4-DIMETHOXYPHENYL)-6-(4-METHOXYSTYRYL)COUMARIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2282869 |
| Name | TRANS-3-(3,4-DIMETHOXYPHENYL)-6-(4-METHOXYSTYRYL)COUMARIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQXZUEKJQWPRFA-SNAWJCMRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
5.66
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.37 | 5.37 | 4230.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.15 | 5.15 | 7140.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.06 | 5.06 | 8760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 4230.0 | nM | 5.37 | Cytotoxicity against Homo sapiens (human) MCF7 cells assessed as growth inhibiti... | - |
| NON-PROTEIN TARGET | IC50 | = | 7140.0 | nM | 5.15 | Cytotoxicity against Homo sapiens (human) HCT28 cells assessed as growth inhibit... | - |
| K562 | IC50 | = | 8760.0 | nM | 5.06 | Cytotoxicity against Homo sapiens (human) K562 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