Compound Detail
CHEMBL127409
3,4,2',4',6'-PENTAHYDROXYCHALCONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL127409 |
| Name | 3,4,2',4',6'-PENTAHYDROXYCHALCONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRBYNQCDRNZCNX-DUXPYHPUSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
2.11
ALogP
6
HBA
5
HBD
118.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.85 | 6.85 | 140.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.36 | 5.33 | 4400.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
| Arginase-1 CHEMBL1075060 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 140.0 | nM | 6.85 | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined | 8254620 |
| Cyclooxygenase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of cyclooxygenase in rat RBL1 cells | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of 5-lipoxygenase in rat RBL1 cells | - |
| Unchecked | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... | 33006891 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... | 33006891 |
| NON-PROTEIN TARGET | IC50 | = | 76000.0 | nM | 4.12 | Antioxidant activity assessed as hydrogen peroxide scavenging activity by peroxy... | 19853459 |
| Arginase-1 | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of bovine liver arginase 1 using L-arginine as substrate incubated fo... | 38784454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19853459 | 10.1016/j.bmc.2009.10.002 | Radical scavenging activity | 4 |
| 33006891 | 10.1021/acs.jnatprod.0c00728 | Unchecked | 4 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | NON-PROTEIN TARGET | 3 |
| 8254620 | 10.1021/jm00076a019 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8254620 | 10.1021/jm00076a019 | Cyclooxygenase | 1 |
| 8254620 | 10.1021/jm00076a019 | Rattus norvegicus | 1 |
| 17267225 | 10.1016/j.bmc.2007.01.017 | Tyrosinase | 1 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | No relevant target | 1 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | Unchecked | 1 |
| - | 10.1007/s00044-011-9640-2 | Mus musculus | 1 |
| - | 10.1007/s00044-013-0745-7 | Cyclooxygenase | 1 |
| - | 10.1007/s00044-013-0745-7 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 33006891 | 10.1021/acs.jnatprod.0c00728 | Neutrophil | 1 |
| 38784454 | 10.1039/d3md00713h | Arginase-1 | 1 |
Data from ChEMBL 36 via Core Engine