Compound Detail
CHEMBL577183
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Basic Information
| ChEMBL ID | CHEMBL577183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXCITGYLZAKTNE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
3.49
ALogP
9
HBA
2
HBD
124.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 9.32 | 9.32 | 0.5 | 2 |
| Adenosine receptor A2a CHEMBL251 | Ki | 6.75 | 6.75 | 176.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 0.4786 | nM | 9.32 | Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells | 19501513 |
| Adenosine receptor A3 | Ki | = | 0.48 | nM | 9.32 | Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells | 19501513 |
| Adenosine receptor A2a | Ki | = | 177.83 | nM | 6.75 | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell... | 19501513 |
| Adenosine receptor A2a | Ki | = | 176.0 | nM | 6.75 | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell... | 19501513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19501513 | 10.1016/j.bmc.2009.05.038 | Adenosine receptor A3 | 2 |
| 19501513 | 10.1016/j.bmc.2009.05.038 | Adenosine receptor A2a | 2 |
Data from ChEMBL 36 via Core Engine