Compound Detail
CHEMBL2151127
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Basic Information
| ChEMBL ID | CHEMBL2151127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHMRHZJMVHSYBP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
1.59
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 3100.0 | nM | 5.51 | Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cell... | 23342198 |
| Adenosine receptor A1 | Ki | = | 3200.0 | nM | 5.5 | Inhibition of human A1 adenosine receptor expressed in CHO cells after 60 mins b... | 23342198 |
| Adenosine receptor A2a | Ki | = | 5900.0 | nM | 5.23 | Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK2... | 23342198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23342198 | 10.1021/ml300097g | Adenosine receptor A1 | 1 |
| 23342198 | 10.1021/ml300097g | Adenosine receptor A2a | 1 |
| 23342198 | 10.1021/ml300097g | Adenosine receptor A3 | 1 |
| 23342198 | 10.1021/ml300097g | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine