Compound Detail
CHEMBL33795
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Basic Information
| ChEMBL ID | CHEMBL33795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXBRJOPKJKBZSE-MDZDMXLPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.00
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.51 | 7.51 | 31.1 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 7.33 | 7.33 | 46.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 31.1 | nM | 7.51 | Binding affinity against adenosine A1 receptor in rat cortex by the displacement... | 2016719 |
| Adenosine A2 receptor | Ki | = | 46.5 | nM | 7.33 | Binding affinity against adenosine A2 receptor in rat striatum by the displaceme... | 2016719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016719 | 10.1021/jm00108a029 | Adenosine A2 receptor | 2 |
| 2016719 | 10.1021/jm00108a029 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine