Compound Detail
CHEMBL27502
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Basic Information
| ChEMBL ID | CHEMBL27502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKUOJWDGUSDCKF-XREXNNHRSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.49
ALogP
7
HBA
3
HBD
96.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.54
EC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | EC50 | 5.54 | 5.54 | 2890.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.54 | 5.54 | 2880.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.29 | 5.29 | 5110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | EC50 | = | 2890.0 | nM | 5.54 | Agonist efficacy as effective concentration to stimulate binding of [35S]GTP-gam... | 11392549 |
| Adenosine receptor A3 | Ki | = | 2880.0 | nM | 5.54 | Ability to displace specific radioligand [125I]AB-MECA binding at human Adenosin... | 11392549 |
| Adenosine receptor A1 | Ki | = | 5110.0 | nM | 5.29 | Ability to displace specific radioligand [3H]R-PIA binding at Adenosine A1 recep... | 11392549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11392549 | 10.1016/s0960-894x(01)00213-x | Adenosine receptor A1 | 3 |
| 11392549 | 10.1016/s0960-894x(01)00213-x | Adenosine receptor A2a | 1 |
| 11392549 | 10.1016/s0960-894x(01)00213-x | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine