Compound Detail
CHEMBL287321
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Basic Information
| ChEMBL ID | CHEMBL287321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASKACUUUNFXIND-PHPBVZTRSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
-1.32
ALogP
8
HBA
4
HBD
130.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.39 | 6.39 | 404.0 | 2 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.78 | 5.78 | 1680.0 | 2 |
| Adenosine receptor A2a CHEMBL251 | Ki | 4.65 | 4.65 | 22500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 404.0 | nM | 6.39 | Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO ... | 11392549 |
| Adenosine receptor A3 | Ki | = | 404.0 | nM | 6.39 | Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HE... | 10841798 |
| Adenosine receptor A1 | Ki | = | 1680.0 | nM | 5.78 | Ability to displace specific radioligand [3H]R-PIA binding at Adenosine A1 recep... | 11392549 |
| Adenosine receptor A1 | Ki | = | 1680.0 | nM | 5.78 | Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor | 10841798 |
| Adenosine receptor A2a | Ki | = | 22500.0 | nM | 4.65 | Displacement of [3H]-CGS- 21680 from A2A receptor in human brain membrane | 11392549 |
| Adenosine receptor A2a | Ki | = | 22500.0 | nM | 4.65 | Displacement of [3H]-CGS- 21680 from human adenosine A2A receptor expressed in H... | 10841798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11392549 | 10.1016/s0960-894x(01)00213-x | Adenosine receptor A1 | 1 |
| 11392549 | 10.1016/s0960-894x(01)00213-x | Adenosine receptor A2a | 1 |
| 11392549 | 10.1016/s0960-894x(01)00213-x | Adenosine receptor A3 | 1 |
| 10841798 | 10.1021/jm9905965 | Adenosine receptor A1 | 1 |
| 10841798 | 10.1021/jm9905965 | Adenosine receptor A2a | 1 |
| 10841798 | 10.1021/jm9905965 | Adenosine receptor A2b | 1 |
| 10841798 | 10.1021/jm9905965 | Adenosine receptor A3 | 1 |
| 10841798 | 10.1021/jm9905965 | Adenosine receptors; A1 & A3 | 1 |
| 34825182 | 10.1039/D1MD00167A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine