Compound Detail
CHEMBL484112
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Basic Information
| ChEMBL ID | CHEMBL484112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZBPDOMOOAFDFM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.36
ALogP
7
HBA
2
HBD
102.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 7.68 | 7.68 | 20.8 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.38 | 5.38 | 4215.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 20.8 | nM | 7.68 | Displacement of [125I]DPCPX from adenosine A1 receptor in bovine brain membrane | 18468446 |
| Adenosine receptor A3 | Ki | = | 65.0 | nM | 7.19 | Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed ... | 18468446 |
| Adenosine receptor A1 | Ki | = | 4215.0 | nM | 5.38 | Displacement of [125I]DPCPX from human cloned adenosine A1 receptor expressed in... | 18468446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18468446 | 10.1016/j.bmc.2008.04.039 | Adenosine receptor A1 | 2 |
| 18468446 | 10.1016/j.bmc.2008.04.039 | Adenosine receptor A3 | 1 |
| 18468446 | 10.1016/j.bmc.2008.04.039 | Unchecked | 1 |
| 18468446 | 10.1016/j.bmc.2008.04.039 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine