Compound Detail
CHEMBL91153
3',4'-DIMETHOXYFLAVONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL91153 |
| Name | 3',4'-DIMETHOXYFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGHORMOOTZTQFL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.48
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.19 | 4.6833 | 6460.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | IC50 | = | 1200.0 | nM | 5.92 | TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells | 15240100 |
| RAW264.7 | IC50 | = | 6460.0 | nM | 5.19 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 28408221 |
| RAW264.7 | IC50 | = | 34540.0 | nM | 4.46 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 28408221 |
| RAW264.7 | IC50 | = | 39680.0 | nM | 4.4 | Cytotoxicity against mouse RAW264.7 cells by MTT assay | 28408221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28408221 | 10.1016/j.bmcl.2017.03.057 | RAW264.7 | 5 |
| 35576701 | 10.1016/j.ejmech.2022.114332 | Cytochrome P450 | 2 |
| 11170636 | 10.1021/jm0004190 | Staphylococcus aureus | 1 |
| 14510616 | 10.1021/np030020p | RBL-2H3 | 1 |
| 14510616 | 10.1021/np030020p | ADMET | 1 |
| 15240100 | 10.1016/j.bbrc.2004.06.020 | ATP-dependent translocase ABCB1 | 1 |
| - | 10.1007/s00044-012-0423-1 | Liver microsome | 1 |
| - | 10.1007/s00044-012-0423-1 | MOLT-4 | 1 |
| - | 10.1007/s00044-012-0423-1 | MCF7 | 1 |
| - | 10.1007/s00044-012-0423-1 | HepG2 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 35576701 | 10.1016/j.ejmech.2022.114332 | Unchecked | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine