Compound Detail
CHEMBL37243
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Basic Information
| ChEMBL ID | CHEMBL37243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUGZRZZLABJZOU-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
1.48
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.12 | 7.94 | 7.7 | 3 |
| Adenosine receptor A2b CHEMBL255 | Ki | 7.47 | 7.465 | 34.0 | 2 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.24 | 6.24 | 580.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 7.68 | nM | 8.12 | Binding affinity of specific [3H]R-PIA binding to rat Adenosine A1 receptor in H... | 12014951 |
| Adenosine receptor A1 | Ki | = | 14.0 | nM | 7.85 | Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [... | 8230124 |
| Adenosine receptor A1 | Ki | = | 14.0 | nM | 7.85 | Inhibition of [3H]CCPA binding to rat adenosine A1 receptor | 11906291 |
| Adenosine receptor A2b | Ki | = | 34.0 | nM | 7.47 | Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, usin... | 12014951 |
| Adenosine receptor A2b | Ki | = | 34.4 | nM | 7.46 | Inhibition of [3H]ZM-241385 binding to human adenosine A2B receptor | 11906291 |
| Adenosine A2 receptor | Ki | = | 580.0 | nM | 6.24 | Binding affinity against Adenosine A2 receptor in rat striatal membranes using [... | 8230124 |
| Adenosine receptor A2a | Ki | = | 580.0 | nM | 6.24 | 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 receptors; A1 & A2b | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine A2 receptor | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptors; A2b & A3 | 1 |
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A2b | 1 |
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine