Compound Detail
CHEMBL75002
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Basic Information
| ChEMBL ID | CHEMBL75002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSKSUQDBPCUYTH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.07
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 4.04 | 4.04 | 91900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 91900.0 | nM | 4.04 | Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]PIA disp... | 8691424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine