Compound Detail
CHEMBL293478
6-CHLOROFLAVONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL293478 |
| Name | 6-CHLOROFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFNDLWHUYFSXBK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
256.7
MW (Da)
4.11
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.23
Ki 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.79 | 6.79 | 164.0 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 6.23 | 6.225 | 588.8 | 2 |
| Adenosine receptor A3 CHEMBL256 | Ki | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 164.0 | nM | 6.79 | Displacement of [3H]flunitrazepine binding from GABA-A central benzodiazepine re... | - |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 588.84 | nM | 6.23 | Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence... | 24116873 |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 595.0 | nM | 6.22 | Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence... | 24116873 |
| Adenosine receptor A3 | Ki | = | 32000.0 | nM | 4.5 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19592245 | 10.1016/j.bmcl.2009.06.073 | Glucocorticoid receptor | 2 |
| 20415424 | 10.1021/jf100073j | Spodoptera frugiperda | 2 |
| 24116873 | 10.1021/jm401463y | Poly [ADP-ribose] polymerase tankyrase-1 | 2 |
| 28408221 | 10.1016/j.bmcl.2017.03.057 | RAW264.7 | 2 |
| - | 10.1016/S0960-894X(97)00343-0 | GABA-A receptor; anion channel | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A1 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine A2 receptor | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A3 | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 19592245 | 10.1016/j.bmcl.2009.06.073 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine