Compound Detail
CHEMBL239234
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Basic Information
| ChEMBL ID | CHEMBL239234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYJWEWDJSIZCDN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.11
ALogP
7
HBA
1
HBD
80.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 6.05 | 6.05 | 900.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.75 | 5.75 | 1790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 900.0 | nM | 6.05 | Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membr... | 17827019 |
| Adenosine receptor A1 | Ki | = | 1790.0 | nM | 5.75 | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membra... | 17827019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062188 | 10.1021/acsmedchemlett.0c00208 | N-arachidonyl glycine receptor | 4 |
| 33062188 | 10.1021/acsmedchemlett.0c00208 | G-protein coupled receptor 55 | 4 |
| 17827019 | 10.1016/j.bmc.2007.07.051 | Adenosine receptor A3 | 2 |
| 17827019 | 10.1016/j.bmc.2007.07.051 | Adenosine receptor A1 | 1 |
| 17827019 | 10.1016/j.bmc.2007.07.051 | Adenosine receptor A2a | 1 |
| 17827019 | 10.1016/j.bmc.2007.07.051 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine