Compound Detail
CHEMBL211341
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Basic Information
| ChEMBL ID | CHEMBL211341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFZYPXHAEKVIKQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.16
ALogP
10
HBA
3
HBD
148.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CH... | 16821770 |
| Adenosine receptor A1 | Ki | = | 350.0 | nM | 6.46 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell... | 16821770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821770 | 10.1021/jm051112+ | Adenosine receptor A2b | 2 |
| 16821770 | 10.1021/jm051112+ | Adenosine receptor A2a | 2 |
| 16821770 | 10.1021/jm051112+ | Adenosine receptor A1 | 1 |
| 16821770 | 10.1021/jm051112+ | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine