Compound Detail
CHEMBL474636
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Basic Information
| ChEMBL ID | CHEMBL474636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVRXLIZIXFSPTI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
1.01
ALogP
7
HBA
1
HBD
91.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.03 | 7.03 | 92.6 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.18 | 6.18 | 656.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 3.1 | nM | 8.51 | Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 recep... | 19301821 |
| Unchecked | Ki | = | 92.6 | nM | 7.03 | Displacement of [3H]CGS 21680 from bovine striatal membrane adenosine A2A recept... | 19301821 |
| Adenosine receptor A3 | Ki | = | 656.0 | nM | 6.18 | Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed ... | 19301821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19301821 | 10.1021/jm8014876 | Adenosine receptor A3 | 1 |
| 19301821 | 10.1021/jm8014876 | Adenosine receptor A1 | 1 |
| 19301821 | 10.1021/jm8014876 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine