Compound Detail
CHEMBL45176
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Basic Information
| ChEMBL ID | CHEMBL45176 |
| Name | VISNAGIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZVQLVGOZRELTG-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
230.2
MW (Da)
2.86
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.37
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A1 CHEMBL2231 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.37 | 4.37 | 42400.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A1 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of CYP Enzyme Activity In Vitro: The ability of the tested compounds ... | - |
| Adenosine A2 receptor | Ki | = | 42400.0 | nM | 4.37 | Binding affinity at Adenosine A2 receptor in rat striatal membranes by [3H]-CGS-... | 8691424 |
| Adenosine receptor A3 | Ki | = | 60000.0 | nM | 4.22 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6644736 | 10.1021/jm00366a002 | Unchecked | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A1 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine A2 receptor | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A3 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptors; A1 & A3 | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A1 | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A2a | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A3 | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
Data from ChEMBL 36 via Core Engine