Compound Detail
CHEMBL511995
LIQUIRITIN Enter ChEMBL ID:
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O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21
Basic Information
| ChEMBL ID | CHEMBL511995 |
| Name | LIQUIRITIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEMKZLAVQYISIA-ZRWXNEIDSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
0.28
ALogP
9
HBA
5
HBD
145.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.01
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 5.01 | 4.9367 | 9800.0 | 3 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.08 | 4.08 | 82300.0 | 1 |
| Neuraminidase CHEMBL6135 | IC50 | 4.08 | 4.08 | 83100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 9800.0 | nM | 5.01 | Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced i... | 37713804 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of TRPV1 (unknown origin) | 37269667 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 16200.0 | nM | 4.79 | Antagonist activity at human TRPV1 assessed as inhibition of AITC-induced increa... | 37713804 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 16200.0 | nM | 4.79 | Inhibition of TRPA1 (unknown origin) | 37269667 |
| Unchecked | IC50 | = | 82300.0 | nM | 4.08 | Inhibition of Spanish flu (A/Bervig_Mission/1/18) neuraminidase | 20064716 |
| Neuraminidase | IC50 | = | 83100.0 | nM | 4.08 | Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by ch... | 24313801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29224994 | 10.1016/j.bmc.2017.11.046 | Mus musculus | 10 |
| 24313801 | 10.1021/np400817j | Neuraminidase | 4 |
| 18640042 | 10.1016/j.bmc.2008.06.049 | Neuraminidase | 3 |
| 20064716 | 10.1016/j.bmcl.2009.12.106 | Unchecked | 2 |
| 24313801 | 10.1021/np400817j | Influenza A virus | 2 |
| 37713804 | 10.1016/j.ejmech.2023.115806 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 1 |
| 24047800 | 10.1016/j.bmcl.2013.08.102 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 24313801 | 10.1021/np400817j | MDCK | 1 |
| 37269667 | 10.1016/j.ejmech.2023.115392 | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 37269667 | 10.1016/j.ejmech.2023.115392 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine