Compound Detail
CHEMBL338066
4,2',4',6'-TETRAHYDROXYCHALCONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL338066 |
| Name | 4,2',4',6'-TETRAHYDROXYCHALCONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQHMWTPYORBCMF-ZZXKWVIFSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.41
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.15
EC50 1 meas. best 5.4
Kd 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.32 | 5.32 | 4800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.15 | 4.15 | 71100.0 | 1 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 4000.0 | nM | 5.4 | Positive allosteric modulation at human alpha7 nACHR expressed in Xenopus oocyte... | 25232969 |
| Unchecked | Kd | = | 4800.0 | nM | 5.32 | The dissociation constant was measured as binding affinity to P-Glycoprotein C-t... | 9767651 |
| Unchecked | IC50 | = | 71100.0 | nM | 4.15 | Inhibition of alpha-glucosidase (unknown origin) using PNP glycoside as substrat... | 28242551 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined | 8254620 |
| Cyclooxygenase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of cyclooxygenase in rat RBL1 cells | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of 5-lipoxygenase in rat RBL1 cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30688453 | 10.1021/acs.jnatprod.8b00366 | Mus musculus | 5 |
| 15828817 | 10.1021/jm040770b | HT-29 | 2 |
| 25232969 | 10.1016/j.ejmech.2014.09.039 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| - | 10.1007/s00044-011-9640-2 | Mus musculus | 1 |
| 32791402 | 10.1016/j.ejmech.2020.112649 | HepG2 | 1 |
| 28242551 | 10.1016/j.ejmech.2017.02.007 | Unchecked | 1 |
| 26690274 | 10.1021/acs.jnatprod.5b00774 | MDA-MB-231 | 1 |
| 26690274 | 10.1021/acs.jnatprod.5b00774 | MCF7 | 1 |
| - | 10.1007/s00044-013-0745-7 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1007/s00044-013-0745-7 | Cyclooxygenase | 1 |
| 9767651 | 10.1021/jm9810194 | Unchecked | 1 |
| 21530273 | 10.1016/j.bmc.2011.04.010 | Molecular identity unknown | 1 |
| 21530273 | 10.1016/j.bmc.2011.04.010 | Cryptococcus neoformans | 1 |
| 21530273 | 10.1016/j.bmc.2011.04.010 | Candida albicans | 1 |
| 8254620 | 10.1021/jm00076a019 | Rattus norvegicus | 1 |
| 8254620 | 10.1021/jm00076a019 | Cyclooxygenase | 1 |
| 8254620 | 10.1021/jm00076a019 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9767651 | 10.1021/jm9810194 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine