Compound Detail
CHEMBL285191
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Basic Information
| ChEMBL ID | CHEMBL285191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACCCXSZCOGNLFL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
0.61
ALogP
3
HBA
3
HBD
94.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 6.09 | 6.09 | 810.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.6 | 5.6 | 2500.0 | 2 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 810.0 | nM | 6.09 | Inhibition of [3H]ZM-241385 binding to human adenosine A2B receptor | 11906291 |
| Adenosine receptor A1 | Ki | = | 2500.0 | nM | 5.6 | Binding affinity at A1 adenosine receptor in rat brain cortical membrane using [... | 8230124 |
| Adenosine receptor A1 | Ki | = | 2500.0 | nM | 5.6 | Inhibition of [3H]CCPA binding to rat adenosine A1 receptor | 11906291 |
| Adenosine A2 receptor | Ki | = | 21000.0 | nM | 4.68 | Binding affinity against Adenosine A2 receptor in rat striatal membranes using [... | 8230124 |
| Adenosine receptor A2a | Ki | = | 21000.0 | nM | 4.68 | Inhibition of [3H]MSX-2 binding to rat adenosine A2A receptor | 11906291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230124 | 10.1021/jm00074a015 | Adenosine receptor A1 | 1 |
| 8230124 | 10.1021/jm00074a015 | Adenosine A2 receptor | 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 receptor A3 | 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