Compound Detail
CHEMBL77098
3-HYDROXY-3',4'-DIMETHOXYFLAVONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL77098 |
| Name | 3-HYDROXY-3',4'-DIMETHOXYFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXLAVJWSFYZDPF-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.18
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CWR22R CHEMBL612657 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CWR22R | IC50 | = | 12300.0 | nM | 4.91 | Antiproliferative activity against human 22Rv1 cells incubated up to 144 hrs by ... | 22789812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22789812 | 10.1016/j.ejmech.2012.06.031 | CWR22R | 5 |
| 24011954 | 10.1016/j.bmc.2013.08.013 | Casein kinase II | 2 |
| 9632366 | 10.1021/jm970842h | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| 469554 | 10.1021/np50001a002 | L1210 | 1 |
| 23771043 | 10.1016/j.ejmech.2013.04.064 | HCT-116 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 30165345 | 10.1016/j.ejmech.2018.08.047 | LNCaP | 1 |
| 30165345 | 10.1016/j.ejmech.2018.08.047 | DU-145 | 1 |
| 30165345 | 10.1016/j.ejmech.2018.08.047 | PC-3 | 1 |
| 27476422 | 10.1016/j.bmcl.2016.07.050 | PC-3 | 1 |
| 27476422 | 10.1016/j.bmcl.2016.07.050 | LNCaP | 1 |
| 27476422 | 10.1016/j.bmcl.2016.07.050 | PWR-1E | 1 |
| 32364726 | 10.1021/acs.jnatprod.0c00014 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine