Compound Detail
CHEMBL321248
7-METHYLXANTHINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL321248 |
| Name | 7-METHYLXANTHINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PFWLFWPASULGAN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
4
Known Names
1
Indications
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 |
| Chirality | Achiral |
Indications
Myopia
Activity Summary
Ki 3 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Guanine deaminase CHEMBL3129 | Ki | 5.26 | 5.26 | 5550.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.48 | 4.48 | 33000.0 | 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 |
|---|---|---|---|---|---|---|---|
| Guanine deaminase | Ki | = | 5550.0 | nM | 5.26 | Inhibition of GDA by colorimetric assay | 20716488 |
| Adenosine receptor A1 | Ki | = | 33000.0 | nM | 4.48 | Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [... | 8230124 |
| 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 |
|---|---|---|---|
| 20716488 | 10.1016/j.bmc.2010.07.054 | Guanine deaminase | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 8230124 | 10.1021/jm00074a015 | Adenosine receptor A1 | 1 |
| 8230124 | 10.1021/jm00074a015 | Adenosine A2 receptor | 1 |
| 17682095 | 10.1128/aac.00392-07 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine