Compound Detail
CHEMBL600185
LICOFLAVONOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL600185 |
| Name | LICOFLAVONOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVMHBSODLWMMMV-UHFFFAOYSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.79
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.81
IC50 2 meas. best 5.07
Ki 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.81 | 4.61 | 15500.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of NLRP3 inflammasome activation in mouse BMDM cells assessed as redu... | 38692522 |
| NON-PROTEIN TARGET | EC50 | = | 15500.0 | nM | 4.81 | Antiviral activity against KJ56-1 Bovine rotavirus G8P[7] infected in african gr... | 20850329 |
| Unchecked | IC50 | = | 20600.0 | nM | 4.69 | Inhibition of Spanish flu (A/Bervig_Mission/1/18) neuraminidase | 20064716 |
| NON-PROTEIN TARGET | EC50 | = | 25900.0 | nM | 4.59 | Antiviral activity against KJ56-1 Bovine rotavirus G8P[7] infected in african gr... | 20850329 |
| Unchecked | Ki | = | 33000.0 | nM | 4.48 | Inhibition of Spanish flu (A/Bervig_Mission/1/18) neuraminidase by noncompetitiv... | 20064716 |
| NON-PROTEIN TARGET | EC50 | = | 36800.0 | nM | 4.43 | Antiviral activity against KJ56-1 Porcine rotavirus G5P[7] infected in african g... | 20850329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20850329 | 10.1016/j.bmc.2010.07.073 | NON-PROTEIN TARGET | 9 |
| 20850329 | 10.1016/j.bmc.2010.07.073 | Unchecked | 3 |
| 20064716 | 10.1016/j.bmcl.2009.12.106 | Unchecked | 2 |
| 20850329 | 10.1016/j.bmc.2010.07.073 | ADMET | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 32196343 | 10.1021/acs.jnatprod.9b00262 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 32196343 | 10.1021/acs.jnatprod.9b00262 | HepG2 | 1 |
| 32196343 | 10.1021/acs.jnatprod.9b00262 | Unchecked | 1 |
| 38692522 | 10.1016/j.bmcl.2024.129777 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine