Compound Detail
CHEMBL619
3-METHYLXANTHINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL619 |
| Name | 3-METHYLXANTHINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
166.1
MW (Da)
-1.05
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 4.46 | 4.46 | 35000.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 35000.0 | nM | 4.46 | Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 ... | 2724296 |
| Adenosine A2 receptor | Ki | = | 59000.0 | nM | 4.23 | Binding affinity against Adenosine A2 receptor in rat striatal membranes using [... | 8230124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| 11741482 | 10.1021/jm9904708 | Nucleic Acid | 1 |
| 8230124 | 10.1021/jm00074a015 | Adenosine receptor A1 | 1 |
| 8230124 | 10.1021/jm00074a015 | Adenosine A2 receptor | 1 |
| 1331453 | 10.1021/jm00100a008 | Adenosine receptor A2a | 1 |
| 1331453 | 10.1021/jm00100a008 | Adenosine receptor A1 | 1 |
| 1331453 | 10.1021/jm00100a008 | Unchecked | 1 |
| 1331453 | 10.1021/jm00100a008 | Phosphodiesterase 4 | 1 |
| 1331453 | 10.1021/jm00100a008 | Adenosine A2 receptor | 1 |
| 2724296 | 10.1021/jm00126a014 | Adenosine receptor A1 | 1 |
| 2724296 | 10.1021/jm00126a014 | Adenosine A2 receptor | 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