Compound Detail
CHEMBL89093
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL89093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWGZOUCWGRTPSM-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
5.86
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 9.25 | 7.75 | 0.6 | 2 |
| Adenosine receptor A3 CHEMBL3360 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 0.56 | nM | 9.25 | In vitro binding affinity at human Adenosine A3 receptor from HEK293 cells by [1... | 8863790 |
| Adenosine receptor A3 | Ki | = | 561.0 | nM | 6.25 | Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor exp... | 22468757 |
| Adenosine receptor A3 | Ki | = | 5500.0 | nM | 5.26 | Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed i... | 22468757 |
| Adenosine receptor A1 | Ki | = | 100000.0 | nM | 4.0 | Displacement of specific [3H](R)-PIA binding at adenosine A1 receptor from rat b... | 9258367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22468757 | 10.1021/jm300087j | Adenosine receptor A3 | 3 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A1 | 2 |
| 8863790 | 10.1021/jm960482i | Adenosine receptor A2a | 1 |
| 8863790 | 10.1021/jm960482i | Adenosine receptor A3 | 1 |
| 8863790 | 10.1021/jm960482i | Adenosine receptor A1 | 1 |
| 9258367 | 10.1021/jm970091j | Adenosine receptor A1 | 1 |
| 9258367 | 10.1021/jm970091j | Adenosine receptor A2a | 1 |
| 9258367 | 10.1021/jm970091j | Adenosine receptor A3 | 1 |
| 10636237 | 10.1016/s0960-894x(99)00583-1 | Adenosine receptor A3 | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A2a | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A2a and A3 | 1 |
| 22468757 | 10.1021/jm300087j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine