Compound Detail
CHEMBL1093270
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Basic Information
| ChEMBL ID | CHEMBL1093270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCQXBWILDPXQBD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.54
ALogP
8
HBA
0
HBD
61.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 9.42 | 9.42 | 0.4 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.64 | 6.64 | 228.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 0.38 | nM | 9.42 | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK2... | 20303771 |
| Adenosine receptor A2a | Ki | = | 0.38 | nM | 9.42 | Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 c... | 31780082 |
| Adenosine receptor A1 | Ki | = | 228.4 | nM | 6.64 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 c... | 20303771 |
| Adenosine receptor A1 | Ki | = | 228.4 | nM | 6.64 | Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell ... | 31780082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20303771 | 10.1016/j.bmc.2010.02.048 | Mus musculus | 6 |
| 20303771 | 10.1016/j.bmc.2010.02.048 | Adenosine receptor A2a | 2 |
| 20303771 | 10.1016/j.bmc.2010.02.048 | Adenosine receptor A1 | 1 |
| 20303771 | 10.1016/j.bmc.2010.02.048 | Unchecked | 1 |
| 31780082 | 10.1016/j.ejmech.2019.111879 | Adenosine receptor A1 | 1 |
| 31780082 | 10.1016/j.ejmech.2019.111879 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine