Compound Detail
CHEMBL73933
4'-HYDROXY-FLAVANONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL73933 |
| Name | 4'-HYDROXY-FLAVANONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLHVIYHWWQYJID-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
3
PK Parameters
20
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
3.10
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.84
Ki 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 6.84 | 6.84 | 145.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.94 | 4.94 | 11500.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 4.37 | 4.37 | 42800.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.24 | 4.24 | 57544.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 590.0 | nM | Homo sapiens |
| Ke | 3490.0 | nM | Homo sapiens |
| Ke | 550.0 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 145.0 | nM | 6.84 | Inhibition of AchE in Rattus norvegicus (rat) cortex homogenates by Ellman's met... | - |
| Adenosine receptor A1 | Ki | = | 11500.0 | nM | 4.94 | Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]PIA disp... | 8691424 |
| Adenosine receptor A3 | Ki | = | 42800.0 | nM | 4.37 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
| Androgen receptor | IC50 | = | 57543.99 | nM | 4.24 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17166721 | 10.1016/j.bmc.2006.11.037 | NON-PROTEIN TARGET | 3 |
| 19236029 | 10.1021/np800698d | Enterococcus faecalis | 2 |
| 18533708 | 10.1021/jm800054h | 17-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 18533708 | 10.1021/jm800054h | 17-beta-hydroxysteroid dehydrogenase type 1 | 2 |
| 17685652 | 10.1021/np070194x | Unchecked | 2 |
| 17685652 | 10.1021/np070194x | Mu-type opioid receptor | 1 |
| 28319389 | 10.1021/acs.jnatprod.6b00950 | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 19307119 | 10.1016/j.bmcl.2009.03.017 | HEK293 | 1 |
| 9461655 | 10.1021/np970237h | NON-PROTEIN TARGET | 1 |
| 9461655 | 10.1021/np970237h | Xanthine dehydrogenase/oxidase | 1 |
| 17685652 | 10.1021/np070194x | Kappa-type opioid receptor | 1 |
| 17685652 | 10.1021/np070194x | Delta-type opioid receptor | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A1 | 1 |
| 17166721 | 10.1016/j.bmc.2006.11.037 | Radical scavenging activity | 1 |
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A3 | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A2a | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A1 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptors; A1 & A3 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine