Compound Detail
CHEMBL8789
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Basic Information
| ChEMBL ID | CHEMBL8789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGAWDWCYTZJBPQ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
1.88
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 7.93 | 7.93 | 11.8 | 2 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.4 | 7.39 | 40.0 | 2 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.19 | 6.19 | 642.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 11.8 | nM | 7.93 | Binding affinity for human adenosine A2B receptor using [3H]ZM-241385 in CHO cel... | 14761205 |
| Adenosine receptor A2b | Ki | = | 11.8 | nM | 7.93 | Inhibition of [3H]ZM-241385 binding to human adenosine A2B receptor | 11906291 |
| Adenosine receptor A1 | Ki | = | 40.0 | nM | 7.4 | Displacement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membr... | 14761205 |
| Adenosine receptor A1 | Ki | = | 42.0 | nM | 7.38 | Inhibition of [3H]CCPA binding to rat adenosine A1 receptor | 11906291 |
| Adenosine receptor A2a | Ki | = | 642.0 | nM | 6.19 | Displacement of [3H]MSX-2 from adenosine A2A receptor of rat brain striatal memb... | 14761205 |
| Adenosine receptor A2a | Ki | = | 642.0 | nM | 6.19 | Inhibition of [3H]MSX-2 binding to rat adenosine A2A receptor | 11906291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761205 | 10.1021/jm0310030 | Adenosine receptor A1 | 1 |
| 14761205 | 10.1021/jm0310030 | Adenosine receptor A2a | 1 |
| 14761205 | 10.1021/jm0310030 | Adenosine receptor A2b | 1 |
| 14761205 | 10.1021/jm0310030 | Adenosine receptor A3 | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptor A1 | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptor A2a | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptor A2b | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptors; A1 & A2b | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine A2 receptor | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptors; A2b & A3 | 1 |
Data from ChEMBL 36 via Core Engine