Compound Detail
CHEMBL499116
TANARIFLAVANONE D Enter ChEMBL ID:
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C=C(C)C(O)CC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2
Basic Information
| ChEMBL ID | CHEMBL499116 |
| Name | TANARIFLAVANONE D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VALTWXVTFHGVHS-ILVSVAAVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.42
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.81
Ki 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 4.93 | 4.93 | 11700.0 | 1 |
| Neutrophil elastase CHEMBL248 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 11700.0 | nM | 4.93 | Noncompetitive inhibition of human neutrophil elastase using varying levels of M... | 28968119 |
| Neutrophil elastase | IC50 | = | 15400.0 | nM | 4.81 | Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measu... | 28968119 |
| Radical scavenging activity | IC50 | = | 20000.0 | nM | 4.7 | Antioxidant activity assessed as DPPH radical scavenging activity by TLC autogra... | 15974621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28968119 | 10.1021/acs.jnatprod.7b00325 | Neutrophil elastase | 2 |
| 15974621 | 10.1021/np0500272 | NON-PROTEIN TARGET | 1 |
| 15974621 | 10.1021/np0500272 | NCI-H187 | 1 |
| 15974621 | 10.1021/np0500272 | Vero | 1 |
| 15974621 | 10.1021/np0500272 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine