Compound Detail
CHEMBL74590
7Z-3,4,4'-TRIMETHOXYSTILBENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL74590 |
| Name | 7Z-3,4,4'-TRIMETHOXYSTILBENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDOKNDRSLIZXDQ-PLNGDYQASA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.88
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16-F10 CHEMBL612656 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Bos taurus CHEMBL613489 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 4.74 | 4.74 | 18197.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16-F10 | IC50 | = | 1000.0 | nM | 6.0 | Anti cancer activity against mouse B16-F10 cells assessed as cell growth inhibit... | 32485531 |
| HCT-116 | IC50 | = | 2300.0 | nM | 5.64 | Cytotoxicity against human HCT116 cells after 24 hrs by MTT assay | 21215623 |
| MCF7 | IC50 | = | 2400.0 | nM | 5.62 | Cytotoxicity against human MCF7 cells after 24 hrs by MTT assay | 21215623 |
| NON-PROTEIN TARGET | IC50 | = | 5100.0 | nM | 5.29 | Cytotoxicity against mouse Hepa-1c1c7 cells after 24 hrs by MTT assay | 21215623 |
| ADMET | IC50 | = | 7000.0 | nM | 5.16 | Cytotoxicity against human IMR90 cells after 24 hrs by MTT assay | 21215623 |
| Bos taurus | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of tubulin polymerization | 1613753 |
| Tubulin | IC50 | = | 18197.01 | nM | 4.74 | Inhibition of tubulin polymerization in Homo sapiens (human) solid tumor cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21215623 | 10.1016/j.bmcl.2010.12.029 | ADMET | 2 |
| 21215623 | 10.1016/j.bmcl.2010.12.029 | MCF7 | 2 |
| 1613753 | 10.1021/jm00090a021 | A549 | 1 |
| 1613753 | 10.1021/jm00090a021 | MCF7 | 1 |
| 1613753 | 10.1021/jm00090a021 | HT-29 | 1 |
| 1613753 | 10.1021/jm00090a021 | SK-MEL-5 | 1 |
| 1613753 | 10.1021/jm00090a021 | MLM | 1 |
| 1613753 | 10.1021/jm00090a021 | Bos taurus | 1 |
| 17316918 | 10.1016/j.ejmech.2006.12.012 | NON-PROTEIN TARGET | 1 |
| 17316918 | 10.1016/j.ejmech.2006.12.012 | Unchecked | 1 |
| 21215623 | 10.1016/j.bmcl.2010.12.029 | HCT-116 | 1 |
| 21215623 | 10.1016/j.bmcl.2010.12.029 | NON-PROTEIN TARGET | 1 |
| 21215623 | 10.1016/j.bmcl.2010.12.029 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| - | 10.1007/s00044-012-0327-0 | Tubulin | 1 |
| 32485531 | 10.1016/j.ejmech.2020.112356 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine